3-azanyl-7-nitro-1-oxidanylidene-2-propan-2-yl-isoquinoline-4-carbonitrile

Systemtic Name: 3-azanyl-7-nitro-1-oxidanylidene-2-propan-2-yl-isoquinoline-4-carbonitrile Openeye Name: 3-amino-2-isopropyl-7-nitro-1-oxo-isoquinoline-4-carbonitrile CAS Name: 3-amino-7-nitro-1-oxo-2-propan-2-yl-4-isoquinolinecarbonitrile IUPAC Name: 3-amino-7-nitro-1-oxo-2-propan-2-ylisoquinoline-4-carbonitrile Traditional Name: 3-amino-2-isopropyl-1-keto-7-nitro-isoquinoline-4-carbonitrile Formula: C13H12N4O3 MolecularWeight: 272.25938

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=C(C2=C(C1=O)C=C(C=C2)[N+](=O)[O-])C#N)N

Isomeric SMILES

CC(C)N1C(=C(C2=C(C1=O)C=C(C=C2)[N+](=O)[O-])C#N)N

InChI

InChI=1S/C13H12N4O3/c1-7(2)16-12(15)11(6-14)9-4-3-8(17(19)20)5-10(9)13(16)18/h3-5,7H,15H2,1-2H3