(E)-3-[4-(methylamino)-3-nitro-phenyl]-2-(3-methylphenyl)carbonyl-prop-2-enenitrile

Systemtic Name: (E)-3-[4-(methylamino)-3-nitro-phenyl]-2-(3-methylphenyl)carbonyl-prop-2-enenitrile Openeye Name: (E)-3-[4-(methylamino)-3-nitro-phenyl]-2-(3-methylbenzoyl)prop-2-enenitrile CAS Name: (E)-3-[4-(methylamino)-3-nitrophenyl]-2-[(3-methylphenyl)-oxomethyl]-2-propenenitrile IUPAC Name: (E)-3-[4-(methylamino)-3-nitrophenyl]-2-(3-methylbenzoyl)prop-2-enenitrile Traditional Name: (E)-3-[4-(methylamino)-3-nitro-phenyl]-2-m-toluoyl-acrylonitrile Formula: C18H15N3O3 MolecularWeight: 321.33

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)C(=CC2=CC(=C(C=C2)NC)[N+](=O)[O-])C#N

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)/C(=C/C2=CC(=C(C=C2)NC)[N+](=O)[O-])/C#N

InChI

InChI=1S/C18H15N3O3/c1-12-4-3-5-14(8-12)18(22)15(11-19)9-13-6-7-16(20-2)17(10-13)21(23)24/h3-10,20H,1-2H3/b15-9+