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

Systemtic Name: 3-azanyl-7-nitro-1-oxidanylidene-2-(phenylmethyl)isoquinoline-4-carbonitrile Openeye Name: 3-amino-2-benzyl-7-nitro-1-oxo-isoquinoline-4-carbonitrile CAS Name: 3-amino-7-nitro-1-oxo-2-(phenylmethyl)-4-isoquinolinecarbonitrile IUPAC Name: 3-amino-2-benzyl-7-nitro-1-oxoisoquinoline-4-carbonitrile Traditional Name: 3-amino-2-benzyl-1-keto-7-nitro-isoquinoline-4-carbonitrile Formula: C17H12N4O3 MolecularWeight: 320.30218

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=C(C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])C#N)N

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=C(C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])C#N)N

InChI

InChI=1S/C17H12N4O3/c18-9-15-13-7-6-12(21(23)24)8-14(13)17(22)20(16(15)19)10-11-4-2-1-3-5-11/h1-8H,10,19H2