methyl 4-[4-(4-iodophenyl)carbonylpiperazin-1-yl]-3-nitro-benzoate

Systemtic Name: methyl 4-[4-(4-iodophenyl)carbonylpiperazin-1-yl]-3-nitro-benzoate Openeye Name: methyl 4-[4-(4-iodobenzoyl)piperazin-1-yl]-3-nitro-benzoate CAS Name: 4-[4-[(4-iodophenyl)-oxomethyl]-1-piperazinyl]-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-[4-(4-iodobenzoyl)piperazin-1-yl]-3-nitrobenzoate Traditional Name: 4-[4-(4-iodobenzoyl)piperazino]-3-nitro-benzoic acid methyl ester Formula: C19H18IN3O5 MolecularWeight: 495.26779

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18IN3O5/c1-28-19(25)14-4-7-16(17(12-14)23(26)27)21-8-10-22(11-9-21)18(24)13-2-5-15(20)6-3-13/h2-7,12H,8-11H2,1H3