(E)-2-(5,6-dimethylbenzotriazol-1-yl)-3-(3-nitrophenyl)prop-2-enenitrile

Systemtic Name: (E)-2-(5,6-dimethylbenzotriazol-1-yl)-3-(3-nitrophenyl)prop-2-enenitrile Openeye Name: (E)-2-(5,6-dimethylbenzotriazol-1-yl)-3-(3-nitrophenyl)prop-2-enenitrile CAS Name: (E)-2-(5,6-dimethyl-1-benzotriazolyl)-3-(3-nitrophenyl)-2-propenenitrile IUPAC Name: (E)-2-(5,6-dimethylbenzotriazol-1-yl)-3-(3-nitrophenyl)prop-2-enenitrile Traditional Name: (E)-2-(5,6-dimethylbenzotriazol-1-yl)-3-(3-nitrophenyl)acrylonitrile Formula: C17H13N5O2 MolecularWeight: 319.31742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)N(N=N2)C(=CC3=CC(=CC=C3)[N+](=O)[O-])C#N

Isomeric SMILES

CC1=CC2=C(C=C1C)N(N=N2)/C(=C/C3=CC(=CC=C3)[N+](=O)[O-])/C#N

InChI

InChI=1S/C17H13N5O2/c1-11-6-16-17(7-12(11)2)21(20-19-16)15(10-18)9-13-4-3-5-14(8-13)22(23)24/h3-9H,1-2H3/b15-9+