methyl 3-nitro-5-[4-(phenylcarbamoyl)piperidin-1-yl]carbonyl-benzoate

Systemtic Name: methyl 3-nitro-5-[4-(phenylcarbamoyl)piperidin-1-yl]carbonyl-benzoate Openeye Name: methyl 3-nitro-5-[4-(phenylcarbamoyl)piperidine-1-carbonyl]benzoate CAS Name: 3-[[4-[anilino(oxo)methyl]-1-piperidinyl]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-nitro-5-[4-(phenylcarbamoyl)piperidine-1-carbonyl]benzoate Traditional Name: 3-nitro-5-[4-(phenylcarbamoyl)piperidine-1-carbonyl]benzoic acid methyl ester Formula: C21H21N3O6 MolecularWeight: 411.40794

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)C(=O)N2CCC(CC2)C(=O)NC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C(=O)N2CCC(CC2)C(=O)NC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H21N3O6/c1-30-21(27)16-11-15(12-18(13-16)24(28)29)20(26)23-9-7-14(8-10-23)19(25)22-17-5-3-2-4-6-17/h2-6,11-14H,7-10H2,1H3,(H,22,25)