2-[4-[[3-(4-methylpiperazin-1-yl)phenyl]amino]-3-nitro-phenyl]ethanoic acid

Systemtic Name: 2-[4-[[3-(4-methylpiperazin-1-yl)phenyl]amino]-3-nitro-phenyl]ethanoic acid Openeye Name: 2-[4-[3-(4-methylpiperazin-1-yl)anilino]-3-nitro-phenyl]acetic acid CAS Name: 2-[4-[3-(4-methyl-1-piperazinyl)anilino]-3-nitrophenyl]acetic acid IUPAC Name: 2-[4-[3-(4-methylpiperazin-1-yl)anilino]-3-nitrophenyl]acetic acid Traditional Name: 2-[4-[3-(4-methylpiperazino)anilino]-3-nitro-phenyl]acetic acid Formula: C19H22N4O4 MolecularWeight: 370.40238

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=CC(=CC=C2)NC3=C(C=C(C=C3)CC(=O)O)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)C2=CC(=CC=C2)NC3=C(C=C(C=C3)CC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C19H22N4O4/c1-21-7-9-22(10-8-21)16-4-2-3-15(13-16)20-17-6-5-14(12-19(24)25)11-18(17)23(26)27/h2-6,11,13,20H,7-10,12H2,1H3,(H,24,25)