2-(azepan-1-ylcarbonyl)-3-(4-nitrophenyl)prop-2-enenitrile

Systemtic Name: 2-(azepan-1-ylcarbonyl)-3-(4-nitrophenyl)prop-2-enenitrile Openeye Name: 2-(azepane-1-carbonyl)-3-(4-nitrophenyl)prop-2-enenitrile CAS Name: 2-[1-azepanyl(oxo)methyl]-3-(4-nitrophenyl)-2-propenenitrile IUPAC Name: 2-(azepane-1-carbonyl)-3-(4-nitrophenyl)prop-2-enenitrile Traditional Name: 2-(azepane-1-carbonyl)-3-(4-nitrophenyl)acrylonitrile Formula: C16H17N3O3 MolecularWeight: 299.32448

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C(=CC2=CC=C(C=C2)[N+](=O)[O-])C#N

Isomeric SMILES

C1CCCN(CC1)C(=O)C(=CC2=CC=C(C=C2)[N+](=O)[O-])C#N

InChI

InChI=1S/C16H17N3O3/c17-12-14(16(20)18-9-3-1-2-4-10-18)11-13-5-7-15(8-6-13)19(21)22/h5-8,11H,1-4,9-10H2