[2-(3-chloranyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl] 3-[(4-nitrophenyl)carbonylamino]propanoate

Systemtic Name: [2-(3-chloranyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl] 3-[(4-nitrophenyl)carbonylamino]propanoate Openeye Name: [2-(3-chloro-4-methoxy-phenyl)-2-oxo-ethyl] 3-[(4-nitrobenzoyl)amino]propanoate CAS Name: 3-[[(4-nitrophenyl)-oxomethyl]amino]propanoic acid [2-(3-chloro-4-methoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-chloro-4-methoxyphenyl)-2-oxoethyl] 3-[(4-nitrobenzoyl)amino]propanoate Traditional Name: 3-[(4-nitrobenzoyl)amino]propionic acid [2-(3-chloro-4-methoxy-phenyl)-2-keto-ethyl] ester Formula: C19H17ClN2O7 MolecularWeight: 420.80048

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17ClN2O7/c1-28-17-7-4-13(10-15(17)20)16(23)11-29-18(24)8-9-21-19(25)12-2-5-14(6-3-12)22(26)27/h2-7,10H,8-9,11H2,1H3,(H,21,25)