3-ethanoyl-4-methyl-2-(3-nitrophenyl)-2,6,7,8,9,10-hexahydropyrido[1,2-a]azepine-1-carboxylic acid

Systemtic Name: 3-ethanoyl-4-methyl-2-(3-nitrophenyl)-2,6,7,8,9,10-hexahydropyrido[1,2-a]azepine-1-carboxylic acid Openeye Name: 3-acetyl-4-methyl-2-(3-nitrophenyl)-2,6,7,8,9,10-hexahydropyrido[1,2-a]azepine-1-carboxylic acid CAS Name: 3-acetyl-4-methyl-2-(3-nitrophenyl)-2,6,7,8,9,10-hexahydropyrido[1,2-a]azepine-1-carboxylic acid IUPAC Name: 3-acetyl-4-methyl-2-(3-nitrophenyl)-2,6,7,8,9,10-hexahydropyrido[1,2-a]azepine-1-carboxylic acid Traditional Name: 3-acetyl-4-methyl-2-(3-nitrophenyl)-2,6,7,8,9,10-hexahydropyrid[1,2-a]azepine-1-carboxylic acid Formula: C20H22N2O5 MolecularWeight: 370.39908

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C2N1CCCCC2)C(=O)O)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)C

Isomeric SMILES

CC1=C(C(C(=C2N1CCCCC2)C(=O)O)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)C

InChI

InChI=1S/C20H22N2O5/c1-12-17(13(2)23)18(14-7-6-8-15(11-14)22(26)27)19(20(24)25)16-9-4-3-5-10-21(12)16/h6-8,11,18H,3-5,9-10H2,1-2H3,(H,24,25)