3-azanyl-2-(4-methoxyphenyl)-7-nitro-1-oxidanylidene-isoquinoline-4-carbonitrile

Systemtic Name: 3-azanyl-2-(4-methoxyphenyl)-7-nitro-1-oxidanylidene-isoquinoline-4-carbonitrile Openeye Name: 3-amino-2-(4-methoxyphenyl)-7-nitro-1-oxo-isoquinoline-4-carbonitrile CAS Name: 3-amino-2-(4-methoxyphenyl)-7-nitro-1-oxo-4-isoquinolinecarbonitrile IUPAC Name: 3-amino-2-(4-methoxyphenyl)-7-nitro-1-oxoisoquinoline-4-carbonitrile Traditional Name: 3-amino-1-keto-2-(4-methoxyphenyl)-7-nitro-isoquinoline-4-carbonitrile Formula: C17H12N4O4 MolecularWeight: 336.30158

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=C(C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])C#N)N

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=C(C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])C#N)N

InChI

InChI=1S/C17H12N4O4/c1-25-12-5-2-10(3-6-12)20-16(19)15(9-18)13-7-4-11(21(23)24)8-14(13)17(20)22/h2-8H,19H2,1H3