methyl 4-(4-methylpiperazin-1-yl)-3-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]benzoate

Systemtic Name: methyl 4-(4-methylpiperazin-1-yl)-3-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]benzoate Openeye Name: methyl 4-(4-methylpiperazin-1-yl)-3-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]benzoate CAS Name: 4-(4-methyl-1-piperazinyl)-3-[[(E)-3-(3-nitrophenyl)-1-oxoprop-2-enyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-(4-methylpiperazin-1-yl)-3-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]benzoate Traditional Name: 4-(4-methylpiperazino)-3-[[(E)-3-(3-nitrophenyl)acryloyl]amino]benzoic acid methyl ester Formula: C22H24N4O5 MolecularWeight: 424.44976

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC)NC(=O)C=CC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC)NC(=O)/C=C/C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H24N4O5/c1-24-10-12-25(13-11-24)20-8-7-17(22(28)31-2)15-19(20)23-21(27)9-6-16-4-3-5-18(14-16)26(29)30/h3-9,14-15H,10-13H2,1-2H3,(H,23,27)/b9-6+