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

Systemtic Name: 2-[(5-bromanyl-3-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]-4-[(2S)-butan-2-yl]phenolate Openeye Name: 2-[(5-bromo-3-nitro-6-oxo-cyclohexa-2,4-dien-1-ylidene)methylamino]-4-[(1S)-1-methylpropyl]phenolate CAS Name: 2-[(5-bromo-3-nitro-6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]-4-[(2S)-butan-2-yl]phenolate IUPAC Name: 2-[(5-bromo-3-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]-4-[(2S)-butan-2-yl]phenolate Traditional Name: 2-[(5-bromo-6-keto-3-nitro-cyclohexa-2,4-dien-1-ylidene)methylamino]-4-[(1S)-1-methylpropyl]phenolate Formula: C17H16BrN2O4- MolecularWeight: 392.22394

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)Br)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C17H17BrN2O4/c1-3-10(2)11-4-5-16(21)15(7-11)19-9-12-6-13(20(23)24)8-14(18)17(12)22/h4-10,19,21H,3H2,1-2H3/p-1/t10-/m0/s1