[2-[(2-chlorophenyl)amino]-2-oxidanylidene-ethyl] 4-(cyclopropylamino)-3-nitro-benzoate

Systemtic Name: [2-[(2-chlorophenyl)amino]-2-oxidanylidene-ethyl] 4-(cyclopropylamino)-3-nitro-benzoate Openeye Name: [2-(2-chloroanilino)-2-oxo-ethyl] 4-(cyclopropylamino)-3-nitro-benzoate CAS Name: 4-(cyclopropylamino)-3-nitrobenzoic acid [2-(2-chloroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-chloroanilino)-2-oxoethyl] 4-(cyclopropylamino)-3-nitrobenzoate Traditional Name: 4-(cyclopropylamino)-3-nitro-benzoic acid [2-(2-chloroanilino)-2-keto-ethyl] ester Formula: C18H16ClN3O5 MolecularWeight: 389.78974

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC2=C(C=C(C=C2)C(=O)OCC(=O)NC3=CC=CC=C3Cl)[N+](=O)[O-]

Isomeric SMILES

C1CC1NC2=C(C=C(C=C2)C(=O)OCC(=O)NC3=CC=CC=C3Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H16ClN3O5/c19-13-3-1-2-4-14(13)21-17(23)10-27-18(24)11-5-8-15(20-12-6-7-12)16(9-11)22(25)26/h1-5,8-9,12,20H,6-7,10H2,(H,21,23)