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

Systemtic Name: [2-[(3-ethylphenyl)amino]-2-oxidanylidene-ethyl] 4-(cyclopropylamino)-3-nitro-benzoate Openeye Name: [2-(3-ethylanilino)-2-oxo-ethyl] 4-(cyclopropylamino)-3-nitro-benzoate CAS Name: 4-(cyclopropylamino)-3-nitrobenzoic acid [2-(3-ethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-ethylanilino)-2-oxoethyl] 4-(cyclopropylamino)-3-nitrobenzoate Traditional Name: 4-(cyclopropylamino)-3-nitro-benzoic acid [2-(3-ethylanilino)-2-keto-ethyl] ester Formula: C20H21N3O5 MolecularWeight: 383.39784

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)NC(=O)COC(=O)C2=CC(=C(C=C2)NC3CC3)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC(=CC=C1)NC(=O)COC(=O)C2=CC(=C(C=C2)NC3CC3)[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O5/c1-2-13-4-3-5-16(10-13)22-19(24)12-28-20(25)14-6-9-17(21-15-7-8-15)18(11-14)23(26)27/h3-6,9-11,15,21H,2,7-8,12H2,1H3,(H,22,24)