methyl 4-[[3-(4-ethanoylpiperazin-1-yl)phenyl]amino]-3-nitro-benzoate

Systemtic Name: methyl 4-[[3-(4-ethanoylpiperazin-1-yl)phenyl]amino]-3-nitro-benzoate Openeye Name: methyl 4-[3-(4-acetylpiperazin-1-yl)anilino]-3-nitro-benzoate CAS Name: 4-[3-(4-acetyl-1-piperazinyl)anilino]-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-[3-(4-acetylpiperazin-1-yl)anilino]-3-nitrobenzoate Traditional Name: 4-[3-(4-acetylpiperazino)anilino]-3-nitro-benzoic acid methyl ester Formula: C20H22N4O5 MolecularWeight: 398.41248

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C2=CC(=CC=C2)NC3=C(C=C(C=C3)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=CC(=CC=C2)NC3=C(C=C(C=C3)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C20H22N4O5/c1-14(25)22-8-10-23(11-9-22)17-5-3-4-16(13-17)21-18-7-6-15(20(26)29-2)12-19(18)24(27)28/h3-7,12-13,21H,8-11H2,1-2H3