[2-[[4-[(4-ethoxyphenyl)carbamoyl]phenyl]amino]-2-oxidanylidene-ethyl] 3-methyl-4-nitro-benzoate

Systemtic Name: [2-[[4-[(4-ethoxyphenyl)carbamoyl]phenyl]amino]-2-oxidanylidene-ethyl] 3-methyl-4-nitro-benzoate Openeye Name: [2-[4-[(4-ethoxyphenyl)carbamoyl]anilino]-2-oxo-ethyl] 3-methyl-4-nitro-benzoate CAS Name: 3-methyl-4-nitrobenzoic acid [2-[4-[(4-ethoxyanilino)-oxomethyl]anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-[(4-ethoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 3-methyl-4-nitrobenzoate Traditional Name: 3-methyl-4-nitro-benzoic acid [2-keto-2-[4-(p-phenetylcarbamoyl)anilino]ethyl] ester Formula: C25H23N3O7 MolecularWeight: 477.46602

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)NC(=O)COC(=O)C3=CC(=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)NC(=O)COC(=O)C3=CC(=C(C=C3)[N+](=O)[O-])C

InChI

InChI=1S/C25H23N3O7/c1-3-34-21-11-9-20(10-12-21)27-24(30)17-4-7-19(8-5-17)26-23(29)15-35-25(31)18-6-13-22(28(32)33)16(2)14-18/h4-14H,3,15H2,1-2H3,(H,26,29)(H,27,30)