4-[(2S)-butan-2-yl]-2-[(3,5-dinitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]phenolate

Systemtic Name: 4-[(2S)-butan-2-yl]-2-[(3,5-dinitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]phenolate Openeye Name: 2-[(3,5-dinitro-6-oxo-cyclohexa-2,4-dien-1-ylidene)methylamino]-4-[(1S)-1-methylpropyl]phenolate CAS Name: 4-[(2S)-butan-2-yl]-2-[(3,5-dinitro-6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]phenolate IUPAC Name: 4-[(2S)-butan-2-yl]-2-[(3,5-dinitro-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]phenolate Traditional Name: 2-[(6-keto-3,5-dinitro-cyclohexa-2,4-dien-1-ylidene)methylamino]-4-[(1S)-1-methylpropyl]phenolate Formula: C17H16N3O6- MolecularWeight: 358.32544

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC(=C(C=C1)[O-])NC=C2C=C(C=C(C2=O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC[C@H](C)C1=CC(=C(C=C1)[O-])NC=C2C=C(C=C(C2=O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C17H17N3O6/c1-3-10(2)11-4-5-16(21)14(7-11)18-9-12-6-13(19(23)24)8-15(17(12)22)20(25)26/h4-10,18,21H,3H2,1-2H3/p-1/t10-/m0/s1