4-[(2S)-butan-2-yl]-2-[(3-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]phenolate

Systemtic Name: 4-[(2S)-butan-2-yl]-2-[(3-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]phenolate Openeye Name: 4-[(1S)-1-methylpropyl]-2-[(3-nitro-6-oxo-cyclohexa-2,4-dien-1-ylidene)methylamino]phenolate CAS Name: 4-[(2S)-butan-2-yl]-2-[(3-nitro-6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]phenolate IUPAC Name: 4-[(2S)-butan-2-yl]-2-[(3-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]phenolate Traditional Name: 2-[(6-keto-3-nitro-cyclohexa-2,4-dien-1-ylidene)methylamino]-4-[(1S)-1-methylpropyl]phenolate Formula: C17H17N2O4- MolecularWeight: 313.32788

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC(=C(C=C1)[O-])NC=C2C=C(C=CC2=O)[N+](=O)[O-]

Isomeric SMILES

CC[C@H](C)C1=CC(=C(C=C1)[O-])NC=C2C=C(C=CC2=O)[N+](=O)[O-]

InChI

InChI=1S/C17H18N2O4/c1-3-11(2)12-4-6-17(21)15(9-12)18-10-13-8-14(19(22)23)5-7-16(13)20/h4-11,18,21H,3H2,1-2H3/p-1/t11-/m0/s1