methyl 4-[(E)-3-[4-(4-nitrophenyl)piperazin-1-yl]-3-oxidanylidene-prop-1-enyl]benzoate

Systemtic Name: methyl 4-[(E)-3-[4-(4-nitrophenyl)piperazin-1-yl]-3-oxidanylidene-prop-1-enyl]benzoate Openeye Name: methyl 4-[(E)-3-[4-(4-nitrophenyl)piperazin-1-yl]-3-oxo-prop-1-enyl]benzoate CAS Name: 4-[(E)-3-[4-(4-nitrophenyl)-1-piperazinyl]-3-oxoprop-1-enyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-3-[4-(4-nitrophenyl)piperazin-1-yl]-3-oxoprop-1-enyl]benzoate Traditional Name: 4-[(E)-3-keto-3-[4-(4-nitrophenyl)piperazino]prop-1-enyl]benzoic acid methyl ester Formula: C21H21N3O5 MolecularWeight: 395.40854

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C=CC(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)/C=C/C(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H21N3O5/c1-29-21(26)17-5-2-16(3-6-17)4-11-20(25)23-14-12-22(13-15-23)18-7-9-19(10-8-18)24(27)28/h2-11H,12-15H2,1H3/b11-4+