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

Systemtic Name: methyl 3-nitro-5-[3-(phenylcarbamoyl)piperidin-1-yl]carbonyl-benzoate Openeye Name: methyl 3-nitro-5-[3-(phenylcarbamoyl)piperidine-1-carbonyl]benzoate CAS Name: 3-[[3-[anilino(oxo)methyl]-1-piperidinyl]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-nitro-5-[3-(phenylcarbamoyl)piperidine-1-carbonyl]benzoate Traditional Name: 3-nitro-5-[3-(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)N2CCCC(C2)C(=O)NC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C(=O)N2CCCC(C2)C(=O)NC3=CC=CC=C3)[N+](=O)[O-]

InChI

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