[2-[(4-methyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-(cyclopropylcarbonylamino)benzoate

Systemtic Name: [2-[(4-methyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-(cyclopropylcarbonylamino)benzoate Openeye Name: [2-(4-methyl-2-nitro-anilino)-2-oxo-ethyl] 4-(cyclopropanecarbonylamino)benzoate CAS Name: 4-[[cyclopropyl(oxo)methyl]amino]benzoic acid [2-(4-methyl-2-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-2-nitroanilino)-2-oxoethyl] 4-(cyclopropanecarbonylamino)benzoate Traditional Name: 4-(cyclopropanecarbonylamino)benzoic acid [2-keto-2-(4-methyl-2-nitro-anilino)ethyl] ester Formula: C20H19N3O6 MolecularWeight: 397.38136

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)COC(=O)C2=CC=C(C=C2)NC(=O)C3CC3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)COC(=O)C2=CC=C(C=C2)NC(=O)C3CC3)[N+](=O)[O-]

InChI

InChI=1S/C20H19N3O6/c1-12-2-9-16(17(10-12)23(27)28)22-18(24)11-29-20(26)14-5-7-15(8-6-14)21-19(25)13-3-4-13/h2,5-10,13H,3-4,11H2,1H3,(H,21,25)(H,22,24)