[2-(3-chloranyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl] 4-(cyclopropylamino)-3-nitro-benzoate

Systemtic Name: [2-(3-chloranyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl] 4-(cyclopropylamino)-3-nitro-benzoate Openeye Name: [2-(3-chloro-4-methoxy-phenyl)-2-oxo-ethyl] 4-(cyclopropylamino)-3-nitro-benzoate CAS Name: 4-(cyclopropylamino)-3-nitrobenzoic acid [2-(3-chloro-4-methoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-chloro-4-methoxyphenyl)-2-oxoethyl] 4-(cyclopropylamino)-3-nitrobenzoate Traditional Name: 4-(cyclopropylamino)-3-nitro-benzoic acid [2-(3-chloro-4-methoxy-phenyl)-2-keto-ethyl] ester Formula: C19H17ClN2O6 MolecularWeight: 404.80108

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)COC(=O)C2=CC(=C(C=C2)NC3CC3)[N+](=O)[O-])Cl

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)COC(=O)C2=CC(=C(C=C2)NC3CC3)[N+](=O)[O-])Cl

InChI

InChI=1S/C19H17ClN2O6/c1-27-18-7-3-11(8-14(18)20)17(23)10-28-19(24)12-2-6-15(21-13-4-5-13)16(9-12)22(25)26/h2-3,6-9,13,21H,4-5,10H2,1H3