[2-[(4,5-dimethyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-(aminocarbonylamino)benzoate

Systemtic Name: [2-[(4,5-dimethyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-(aminocarbonylamino)benzoate Openeye Name: [2-(4,5-dimethyl-2-nitro-anilino)-2-oxo-ethyl] 4-ureidobenzoate CAS Name: 4-(carbamoylamino)benzoic acid [2-(4,5-dimethyl-2-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4,5-dimethyl-2-nitroanilino)-2-oxoethyl] 4-(carbamoylamino)benzoate Traditional Name: 4-ureidobenzoic acid [2-(4,5-dimethyl-2-nitro-anilino)-2-keto-ethyl] ester Formula: C18H18N4O6 MolecularWeight: 386.35872

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)[N+](=O)[O-])NC(=O)COC(=O)C2=CC=C(C=C2)NC(=O)N

Isomeric SMILES

CC1=CC(=C(C=C1C)[N+](=O)[O-])NC(=O)COC(=O)C2=CC=C(C=C2)NC(=O)N

InChI

InChI=1S/C18H18N4O6/c1-10-7-14(15(22(26)27)8-11(10)2)21-16(23)9-28-17(24)12-3-5-13(6-4-12)20-18(19)25/h3-8H,9H2,1-2H3,(H,21,23)(H3,19,20,25)