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

Systemtic Name: methyl 3-nitro-4-[4-(phenylcarbamoyl)piperazin-1-yl]benzoate Openeye Name: methyl 3-nitro-4-[4-(phenylcarbamoyl)piperazin-1-yl]benzoate CAS Name: 4-[4-[anilino(oxo)methyl]-1-piperazinyl]-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-nitro-4-[4-(phenylcarbamoyl)piperazin-1-yl]benzoate Traditional Name: 3-nitro-4-[4-(phenylcarbamoyl)piperazino]benzoic acid methyl ester Formula: C19H20N4O5 MolecularWeight: 384.3859

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)NC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)NC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H20N4O5/c1-28-18(24)14-7-8-16(17(13-14)23(26)27)21-9-11-22(12-10-21)19(25)20-15-5-3-2-4-6-15/h2-8,13H,9-12H2,1H3,(H,20,25)