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

Systemtic Name: 2-azanyl-3-(3-nitrophenyl)carbonyl-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-1-carbonitrile Openeye Name: 2-amino-3-(3-nitrobenzoyl)-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-1-carbonitrile CAS Name: 2-amino-3-[(3-nitrophenyl)-oxomethyl]-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-1-carbonitrile IUPAC Name: 2-amino-3-(3-nitrobenzoyl)-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-1-carbonitrile Traditional Name: 2-amino-3-(3-nitrobenzoyl)-6,7,8,9-tetrahydro-5H-pyrrol[1,2-a]azepine-1-carbonitrile Formula: C17H16N4O3 MolecularWeight: 324.33394

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C(=C(N2CC1)C(=O)C3=CC(=CC=C3)[N+](=O)[O-])N)C#N

Isomeric SMILES

C1CCC2=C(C(=C(N2CC1)C(=O)C3=CC(=CC=C3)[N+](=O)[O-])N)C#N

InChI

InChI=1S/C17H16N4O3/c18-10-13-14-7-2-1-3-8-20(14)16(15(13)19)17(22)11-5-4-6-12(9-11)21(23)24/h4-6,9H,1-3,7-8,19H2