methyl 3-nitro-5-(2,3,4,5-tetrahydro-1-benzazepin-1-ylcarbonyl)benzoate

Systemtic Name: methyl 3-nitro-5-(2,3,4,5-tetrahydro-1-benzazepin-1-ylcarbonyl)benzoate Openeye Name: methyl 3-nitro-5-(2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)benzoate CAS Name: 3-nitro-5-[oxo(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methyl]benzoic acid methyl ester IUPAC Name: methyl 3-nitro-5-(2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)benzoate Traditional Name: 3-nitro-5-(2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)benzoic acid methyl ester Formula: C19H18N2O5 MolecularWeight: 354.35662

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)C(=O)N2CCCCC3=CC=CC=C32)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C(=O)N2CCCCC3=CC=CC=C32)[N+](=O)[O-]

InChI

InChI=1S/C19H18N2O5/c1-26-19(23)15-10-14(11-16(12-15)21(24)25)18(22)20-9-5-4-7-13-6-2-3-8-17(13)20/h2-3,6,8,10-12H,4-5,7,9H2,1H3