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

Systemtic Name: 4-[(2S)-butan-2-yl]-2-[[5-nitro-6-oxidanylidene-3-(phenylmethyl)cyclohexa-2,4-dien-1-ylidene]methylamino]phenolate Openeye Name: 2-[(3-benzyl-5-nitro-6-oxo-cyclohexa-2,4-dien-1-ylidene)methylamino]-4-[(1S)-1-methylpropyl]phenolate CAS Name: 4-[(2S)-butan-2-yl]-2-[[5-nitro-6-oxo-3-(phenylmethyl)-1-cyclohexa-2,4-dienylidene]methylamino]phenolate IUPAC Name: 2-[(3-benzyl-5-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]-4-[(2S)-butan-2-yl]phenolate Traditional Name: 2-[(3-benzyl-6-keto-5-nitro-cyclohexa-2,4-dien-1-ylidene)methylamino]-4-[(1S)-1-methylpropyl]phenolate Formula: C24H23N2O4- MolecularWeight: 403.45042

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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)[N+](=O)[O-])CC3=CC=CC=C3

Isomeric SMILES

CC[C@H](C)C1=CC(=C(C=C1)[O-])NC=C2C=C(C=C(C2=O)[N+](=O)[O-])CC3=CC=CC=C3

InChI

InChI=1S/C24H24N2O4/c1-3-16(2)19-9-10-23(27)21(14-19)25-15-20-12-18(11-17-7-5-4-6-8-17)13-22(24(20)28)26(29)30/h4-10,12-16,25,27H,3,11H2,1-2H3/p-1/t16-/m0/s1