[2-[2-(4-chlorophenyl)ethylamino]-2-oxidanylidene-ethyl] 4-azanyl-3-nitro-benzoate

Systemtic Name: [2-[2-(4-chlorophenyl)ethylamino]-2-oxidanylidene-ethyl] 4-azanyl-3-nitro-benzoate Openeye Name: [2-[2-(4-chlorophenyl)ethylamino]-2-oxo-ethyl] 4-amino-3-nitro-benzoate CAS Name: 4-amino-3-nitrobenzoic acid [2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 4-amino-3-nitrobenzoate Traditional Name: 4-amino-3-nitro-benzoic acid [2-[2-(4-chlorophenyl)ethylamino]-2-keto-ethyl] ester Formula: C17H16ClN3O5 MolecularWeight: 377.77904

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCNC(=O)COC(=O)C2=CC(=C(C=C2)N)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC(=CC=C1CCNC(=O)COC(=O)C2=CC(=C(C=C2)N)[N+](=O)[O-])Cl

InChI

InChI=1S/C17H16ClN3O5/c18-13-4-1-11(2-5-13)7-8-20-16(22)10-26-17(23)12-3-6-14(19)15(9-12)21(24)25/h1-6,9H,7-8,10,19H2,(H,20,22)