3-azanyl-7-nitro-1-oxidanylidene-2-[(1S)-1-phenylethyl]isoquinoline-4-carbonitrile

Systemtic Name: 3-azanyl-7-nitro-1-oxidanylidene-2-[(1S)-1-phenylethyl]isoquinoline-4-carbonitrile Openeye Name: 3-amino-7-nitro-1-oxo-2-[(1S)-1-phenylethyl]isoquinoline-4-carbonitrile CAS Name: 3-amino-7-nitro-1-oxo-2-[(1S)-1-phenylethyl]-4-isoquinolinecarbonitrile IUPAC Name: 3-amino-7-nitro-1-oxo-2-[(1S)-1-phenylethyl]isoquinoline-4-carbonitrile Traditional Name: 3-amino-1-keto-7-nitro-2-[(1S)-1-phenylethyl]isoquinoline-4-carbonitrile Formula: C18H14N4O3 MolecularWeight: 334.32876

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14N4O3/c1-11(12-5-3-2-4-6-12)21-17(20)16(10-19)14-8-7-13(22(24)25)9-15(14)18(21)23/h2-9,11H,20H2,1H3/t11-/m0/s1