methyl 4-[4-[(4-ethanoylphenyl)carbamoyl]piperazin-1-yl]-3-nitro-benzoate

Systemtic Name: methyl 4-[4-[(4-ethanoylphenyl)carbamoyl]piperazin-1-yl]-3-nitro-benzoate Openeye Name: methyl 4-[4-[(4-acetylphenyl)carbamoyl]piperazin-1-yl]-3-nitro-benzoate CAS Name: 4-[4-[(4-acetylanilino)-oxomethyl]-1-piperazinyl]-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-[4-[(4-acetylphenyl)carbamoyl]piperazin-1-yl]-3-nitrobenzoate Traditional Name: 4-[4-[(4-acetylphenyl)carbamoyl]piperazino]-3-nitro-benzoic acid methyl ester Formula: C21H22N4O6 MolecularWeight: 426.42258

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O6/c1-14(26)15-3-6-17(7-4-15)22-21(28)24-11-9-23(10-12-24)18-8-5-16(20(27)31-2)13-19(18)25(29)30/h3-8,13H,9-12H2,1-2H3,(H,22,28)