ethyl 2-azanyl-3-(3-nitrophenyl)carbonyl-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-1-carboxylate

Systemtic Name: ethyl 2-azanyl-3-(3-nitrophenyl)carbonyl-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-1-carboxylate Openeye Name: ethyl 2-amino-3-(3-nitrobenzoyl)-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-1-carboxylate CAS Name: 2-amino-3-[(3-nitrophenyl)-oxomethyl]-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-1-carboxylic acid ethyl ester IUPAC Name: ethyl 2-amino-3-(3-nitrobenzoyl)-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-1-carboxylate Traditional Name: 2-amino-3-(3-nitrobenzoyl)-6,7,8,9-tetrahydro-5H-pyrrol[1,2-a]azepine-1-carboxylic acid ethyl ester Formula: C19H21N3O5 MolecularWeight: 371.38714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2CCCCCN2C(=C1N)C(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C2CCCCCN2C(=C1N)C(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H21N3O5/c1-2-27-19(24)15-14-9-4-3-5-10-21(14)17(16(15)20)18(23)12-7-6-8-13(11-12)22(25)26/h6-8,11H,2-5,9-10,20H2,1H3