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

Systemtic Name: 3-azanyl-2-[2-(3-methoxyphenyl)ethyl]-7-nitro-1-oxidanylidene-isoquinoline-4-carbonitrile Openeye Name: 3-amino-2-[2-(3-methoxyphenyl)ethyl]-7-nitro-1-oxo-isoquinoline-4-carbonitrile CAS Name: 3-amino-2-[2-(3-methoxyphenyl)ethyl]-7-nitro-1-oxo-4-isoquinolinecarbonitrile IUPAC Name: 3-amino-2-[2-(3-methoxyphenyl)ethyl]-7-nitro-1-oxoisoquinoline-4-carbonitrile Traditional Name: 3-amino-1-keto-2-[2-(3-methoxyphenyl)ethyl]-7-nitro-isoquinoline-4-carbonitrile Formula: C19H16N4O4 MolecularWeight: 364.35474

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CCN2C(=C(C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])C#N)N

Isomeric SMILES

COC1=CC=CC(=C1)CCN2C(=C(C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])C#N)N

InChI

InChI=1S/C19H16N4O4/c1-27-14-4-2-3-12(9-14)7-8-22-18(21)17(11-20)15-6-5-13(23(25)26)10-16(15)19(22)24/h2-6,9-10H,7-8,21H2,1H3