(6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl 2-methyl-3-nitro-benzoate

Systemtic Name: (6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl 2-methyl-3-nitro-benzoate Openeye Name: (6-chloro-7-methyl-2-oxo-chromen-4-yl)methyl 2-methyl-3-nitro-benzoate CAS Name: 2-methyl-3-nitrobenzoic acid (6-chloro-7-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6-chloro-7-methyl-2-oxochromen-4-yl)methyl 2-methyl-3-nitrobenzoate Traditional Name: 2-methyl-3-nitro-benzoic acid (6-chloro-2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C19H14ClNO6 MolecularWeight: 387.77056

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C3=C(C(=CC=C3)[N+](=O)[O-])C)Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C3=C(C(=CC=C3)[N+](=O)[O-])C)Cl

InChI

InChI=1S/C19H14ClNO6/c1-10-6-17-14(8-15(10)20)12(7-18(22)27-17)9-26-19(23)13-4-3-5-16(11(13)2)21(24)25/h3-8H,9H2,1-2H3