(Z)-2-(3-nitrophenyl)carbonyl-3-[(phenylmethyl)amino]but-2-enenitrile

Systemtic Name: (Z)-2-(3-nitrophenyl)carbonyl-3-[(phenylmethyl)amino]but-2-enenitrile Openeye Name: (Z)-3-(benzylamino)-2-(3-nitrobenzoyl)but-2-enenitrile CAS Name: (Z)-2-[(3-nitrophenyl)-oxomethyl]-3-[(phenylmethyl)amino]-2-butenenitrile IUPAC Name: (Z)-3-(benzylamino)-2-(3-nitrobenzoyl)but-2-enenitrile Traditional Name: (Z)-3-(benzylamino)-2-(3-nitrobenzoyl)but-2-enenitrile Formula: C18H15N3O3 MolecularWeight: 321.33

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C#N)C(=O)C1=CC(=CC=C1)[N+](=O)[O-])NCC2=CC=CC=C2

Isomeric SMILES

C/C(=C(\C#N)/C(=O)C1=CC(=CC=C1)[N+](=O)[O-])/NCC2=CC=CC=C2

InChI

InChI=1S/C18H15N3O3/c1-13(20-12-14-6-3-2-4-7-14)17(11-19)18(22)15-8-5-9-16(10-15)21(23)24/h2-10,20H,12H2,1H3/b17-13-