methyl 3-nitro-4-(4-phenylpiperazin-1-yl)benzoate

Systemtic Name: methyl 3-nitro-4-(4-phenylpiperazin-1-yl)benzoate Openeye Name: methyl 3-nitro-4-(4-phenylpiperazin-1-yl)benzoate CAS Name: 3-nitro-4-(4-phenyl-1-piperazinyl)benzoic acid methyl ester IUPAC Name: methyl 3-nitro-4-(4-phenylpiperazin-1-yl)benzoate Traditional Name: 3-nitro-4-(4-phenylpiperazino)benzoic acid methyl ester Formula: C18H19N3O4 MolecularWeight: 341.36116

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3O4/c1-25-18(22)14-7-8-16(17(13-14)21(23)24)20-11-9-19(10-12-20)15-5-3-2-4-6-15/h2-8,13H,9-12H2,1H3