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

Systemtic Name: 4-[(2S)-butan-2-yl]-2-[(5-methyl-3-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]phenolate Openeye Name: 2-[(5-methyl-3-nitro-6-oxo-cyclohexa-2,4-dien-1-ylidene)methylamino]-4-[(1S)-1-methylpropyl]phenolate CAS Name: 4-[(2S)-butan-2-yl]-2-[(5-methyl-3-nitro-6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]phenolate IUPAC Name: 4-[(2S)-butan-2-yl]-2-[(5-methyl-3-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]phenolate Traditional Name: 2-[(6-keto-5-methyl-3-nitro-cyclohexa-2,4-dien-1-ylidene)methylamino]-4-[(1S)-1-methylpropyl]phenolate Formula: C18H19N2O4- MolecularWeight: 327.35446

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N2O4/c1-4-11(2)13-5-6-17(21)16(9-13)19-10-14-8-15(20(23)24)7-12(3)18(14)22/h5-11,19,21H,4H2,1-3H3/p-1/t11-/m0/s1