(2S)-2-[2-chloranyl-4-[(3-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]phenyl]-2-phenyl-ethanenitrile

Systemtic Name: (2S)-2-[2-chloranyl-4-[(3-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]phenyl]-2-phenyl-ethanenitrile Openeye Name: (2S)-2-[2-chloro-4-[(3-nitro-6-oxo-cyclohexa-2,4-dien-1-ylidene)methylamino]phenyl]-2-phenyl-acetonitrile CAS Name: (2S)-2-[2-chloro-4-[(3-nitro-6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]phenyl]-2-phenylacetonitrile IUPAC Name: (2S)-2-[2-chloro-4-[(3-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]phenyl]-2-phenylacetonitrile Traditional Name: (2S)-2-[2-chloro-4-[(6-keto-3-nitro-cyclohexa-2,4-dien-1-ylidene)methylamino]phenyl]-2-phenyl-acetonitrile Formula: C21H14ClN3O3 MolecularWeight: 391.80716

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C#N)C2=C(C=C(C=C2)NC=C3C=C(C=CC3=O)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC=C(C=C1)[C@H](C#N)C2=C(C=C(C=C2)NC=C3C=C(C=CC3=O)[N+](=O)[O-])Cl

InChI

InChI=1S/C21H14ClN3O3/c22-20-11-16(24-13-15-10-17(25(27)28)7-9-21(15)26)6-8-18(20)19(12-23)14-4-2-1-3-5-14/h1-11,13,19,24H/t19-/m0/s1