[2-methyl-3-[(4-nitrophenoxy)methyl]-4-oxidanylidene-chromen-7-yl] 2-benzamidopropanoate

Systemtic Name: [2-methyl-3-[(4-nitrophenoxy)methyl]-4-oxidanylidene-chromen-7-yl] 2-benzamidopropanoate Openeye Name: [2-methyl-3-[(4-nitrophenoxy)methyl]-4-oxo-chromen-7-yl] 2-benzamidopropanoate CAS Name: 2-benzamidopropanoic acid [2-methyl-3-[(4-nitrophenoxy)methyl]-4-oxo-1-benzopyran-7-yl] ester IUPAC Name: [2-methyl-3-[(4-nitrophenoxy)methyl]-4-oxochromen-7-yl] 2-benzamidopropanoate Traditional Name: 2-benzamidopropionic acid [4-keto-2-methyl-3-[(4-nitrophenoxy)methyl]chromen-7-yl] ester Formula: C27H22N2O8 MolecularWeight: 502.47218

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=C(O1)C=C(C=C2)OC(=O)C(C)NC(=O)C3=CC=CC=C3)COC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=O)C2=C(O1)C=C(C=C2)OC(=O)C(C)NC(=O)C3=CC=CC=C3)COC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C27H22N2O8/c1-16(28-26(31)18-6-4-3-5-7-18)27(32)37-21-12-13-22-24(14-21)36-17(2)23(25(22)30)15-35-20-10-8-19(9-11-20)29(33)34/h3-14,16H,15H2,1-2H3,(H,28,31)