(E)-2-isoquinolin-2-ium-2-yl-3-[(2-nitrophenyl)amino]-3-oxidanyl-prop-2-enenitrile

Systemtic Name: (E)-2-isoquinolin-2-ium-2-yl-3-[(2-nitrophenyl)amino]-3-oxidanyl-prop-2-enenitrile Openeye Name: (E)-3-hydroxy-2-isoquinolin-2-ium-2-yl-3-(2-nitroanilino)prop-2-enenitrile CAS Name: (E)-3-hydroxy-2-(2-isoquinolin-2-iumyl)-3-(2-nitroanilino)-2-propenenitrile IUPAC Name: (E)-3-hydroxy-2-isoquinolin-2-ium-2-yl-3-(2-nitroanilino)prop-2-enenitrile Traditional Name: (E)-3-hydroxy-2-isoquinolin-2-ium-2-yl-3-(2-nitroanilino)acrylonitrile Formula: C18H13N4O3+ MolecularWeight: 333.32082

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=[N+](C=CC2=C1)C(=C(NC3=CC=CC=C3[N+](=O)[O-])O)C#N

Isomeric SMILES

C1=CC=C2C=[N+](C=CC2=C1)/C(=C(\NC3=CC=CC=C3[N+](=O)[O-])/O)/C#N

InChI

InChI=1S/C18H12N4O3/c19-11-17(21-10-9-13-5-1-2-6-14(13)12-21)18(23)20-15-7-3-4-8-16(15)22(24)25/h1-10,12,20H/p+1/b18-17+