[2-[(3,4-dimethylphenyl)carbamoylamino]-2-oxidanylidene-ethyl] 4-nitrobenzoate

Systemtic Name: [2-[(3,4-dimethylphenyl)carbamoylamino]-2-oxidanylidene-ethyl] 4-nitrobenzoate Openeye Name: [2-[(3,4-dimethylphenyl)carbamoylamino]-2-oxo-ethyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [2-[[(3,4-dimethylanilino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[(3,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [2-[(3,4-dimethylphenyl)carbamoylamino]-2-keto-ethyl] ester Formula: C18H17N3O6 MolecularWeight: 371.34408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N3O6/c1-11-3-6-14(9-12(11)2)19-18(24)20-16(22)10-27-17(23)13-4-7-15(8-5-13)21(25)26/h3-9H,10H2,1-2H3,(H2,19,20,22,24)