[(2S)-1-[(2-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-[(4-methyl-2-oxidanylidene-chromen-7-yl)oxymethyl]benzoate

Systemtic Name: [(2S)-1-[(2-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-[(4-methyl-2-oxidanylidene-chromen-7-yl)oxymethyl]benzoate Openeye Name: [(1S)-1-methyl-2-(2-nitroanilino)-2-oxo-ethyl] 4-[(4-methyl-2-oxo-chromen-7-yl)oxymethyl]benzoate CAS Name: 4-[(4-methyl-2-oxo-1-benzopyran-7-yl)oxymethyl]benzoic acid [(2S)-1-(2-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2-nitroanilino)-1-oxopropan-2-yl] 4-[(4-methyl-2-oxochromen-7-yl)oxymethyl]benzoate Traditional Name: 4-[(2-keto-4-methyl-chromen-7-yl)oxymethyl]benzoic acid [(1S)-2-keto-1-methyl-2-(2-nitroanilino)ethyl] ester Formula: C27H22N2O8 MolecularWeight: 502.47218

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2)OCC3=CC=C(C=C3)C(=O)OC(C)C(=O)NC4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2)OCC3=CC=C(C=C3)C(=O)O[C@@H](C)C(=O)NC4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C27H22N2O8/c1-16-13-25(30)37-24-14-20(11-12-21(16)24)35-15-18-7-9-19(10-8-18)27(32)36-17(2)26(31)28-22-5-3-4-6-23(22)29(33)34/h3-14,17H,15H2,1-2H3,(H,28,31)/t17-/m0/s1