1-(6-chloranyl-7-methyl-4-oxidanylidene-chromen-3-yl)-3-[(4-nitrophenyl)methyl]-4,6-bis(oxidanylidene)-5-prop-2-ynyl-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid

Systemtic Name: 1-(6-chloranyl-7-methyl-4-oxidanylidene-chromen-3-yl)-3-[(4-nitrophenyl)methyl]-4,6-bis(oxidanylidene)-5-prop-2-ynyl-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Openeye Name: 1-(6-chloro-7-methyl-4-oxo-chromen-3-yl)-3-[(4-nitrophenyl)methyl]-4,6-dioxo-5-prop-2-ynyl-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid CAS Name: 1-(6-chloro-7-methyl-4-oxo-1-benzopyran-3-yl)-3-[(4-nitrophenyl)methyl]-4,6-dioxo-5-prop-2-ynyl-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid IUPAC Name: 1-(6-chloro-7-methyl-4-oxochromen-3-yl)-3-[(4-nitrophenyl)methyl]-4,6-dioxo-5-prop-2-ynyl-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Traditional Name: 1-(6-chloro-4-keto-7-methyl-chromen-3-yl)-4,6-diketo-3-(4-nitrobenzyl)-5-propargyl-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Formula: C27H20ClN3O8 MolecularWeight: 549.916

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)OC=C(C2=O)C3C4C(C(=O)N(C4=O)CC#C)C(N3)(CC5=CC=C(C=C5)[N+](=O)[O-])C(=O)O)Cl

Isomeric SMILES

CC1=C(C=C2C(=C1)OC=C(C2=O)C3C4C(C(=O)N(C4=O)CC#C)C(N3)(CC5=CC=C(C=C5)[N+](=O)[O-])C(=O)O)Cl

InChI

InChI=1S/C27H20ClN3O8/c1-3-8-30-24(33)20-21(25(30)34)27(26(35)36,11-14-4-6-15(7-5-14)31(37)38)29-22(20)17-12-39-19-9-13(2)18(28)10-16(19)23(17)32/h1,4-7,9-10,12,20-22,29H,8,11H2,2H3,(H,35,36)