[2-(2,4-diacetamidophenyl)-2-oxidanylidene-ethyl] 3-methyl-2-nitro-benzoate

Systemtic Name: [2-(2,4-diacetamidophenyl)-2-oxidanylidene-ethyl] 3-methyl-2-nitro-benzoate Openeye Name: [2-(2,4-diacetamidophenyl)-2-oxo-ethyl] 3-methyl-2-nitro-benzoate CAS Name: 3-methyl-2-nitrobenzoic acid [2-(2,4-diacetamidophenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,4-diacetamidophenyl)-2-oxoethyl] 3-methyl-2-nitrobenzoate Traditional Name: 3-methyl-2-nitro-benzoic acid [2-(2,4-diacetamidophenyl)-2-keto-ethyl] ester Formula: C20H19N3O7 MolecularWeight: 413.38076

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1[N+](=O)[O-])C(=O)OCC(=O)C2=C(C=C(C=C2)NC(=O)C)NC(=O)C

Isomeric SMILES

CC1=CC=CC(=C1[N+](=O)[O-])C(=O)OCC(=O)C2=C(C=C(C=C2)NC(=O)C)NC(=O)C

InChI

InChI=1S/C20H19N3O7/c1-11-5-4-6-16(19(11)23(28)29)20(27)30-10-18(26)15-8-7-14(21-12(2)24)9-17(15)22-13(3)25/h4-9H,10H2,1-3H3,(H,21,24)(H,22,25)