(6E)-6-[[[(2R)-1-(1H-imidazol-5-yl)propan-2-yl]amino]-phenyl-methylidene]-3-nitro-cyclohexa-2,4-dien-1-one

Systemtic Name: (6E)-6-[[[(2R)-1-(1H-imidazol-5-yl)propan-2-yl]amino]-phenyl-methylidene]-3-nitro-cyclohexa-2,4-dien-1-one Openeye Name: (6E)-6-[[[(1R)-2-(1H-imidazol-5-yl)-1-methyl-ethyl]amino]-phenyl-methylene]-3-nitro-cyclohexa-2,4-dien-1-one CAS Name: (6E)-6-[[[(2R)-1-(1H-imidazol-5-yl)propan-2-yl]amino]-phenylmethylidene]-3-nitro-1-cyclohexa-2,4-dienone IUPAC Name: (6E)-6-[[[(2R)-1-(1H-imidazol-5-yl)propan-2-yl]amino]-phenylmethylidene]-3-nitrocyclohexa-2,4-dien-1-one Traditional Name: (6E)-6-[[[(1R)-2-(1H-imidazol-5-yl)-1-methyl-ethyl]amino]-phenyl-methylene]-3-nitro-cyclohexa-2,4-dien-1-one Formula: C19H18N4O3 MolecularWeight: 350.37122

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CN=CN1)NC(=C2C=CC(=CC2=O)[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

C[C@H](CC1=CN=CN1)N/C(=C/2\C=CC(=CC2=O)[N+](=O)[O-])/C3=CC=CC=C3

InChI

InChI=1S/C19H18N4O3/c1-13(9-15-11-20-12-21-15)22-19(14-5-3-2-4-6-14)17-8-7-16(23(25)26)10-18(17)24/h2-8,10-13,22H,9H2,1H3,(H,20,21)/b19-17+/t13-/m1/s1