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

Systemtic Name: 2-[(3-chloranyl-2,4-dimethyl-5-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]-4-[(2S)-pentan-2-yl]phenolate Openeye Name: 2-[(3-chloro-2,4-dimethyl-5-nitro-6-oxo-cyclohexa-2,4-dien-1-ylidene)methylamino]-4-[(1S)-1-methylbutyl]phenolate CAS Name: 2-[(3-chloro-2,4-dimethyl-5-nitro-6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]-4-[(2S)-pentan-2-yl]phenolate IUPAC Name: 2-[(3-chloro-2,4-dimethyl-5-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]-4-[(2S)-pentan-2-yl]phenolate Traditional Name: 2-[(3-chloro-6-keto-2,4-dimethyl-5-nitro-cyclohexa-2,4-dien-1-ylidene)methylamino]-4-[(1S)-1-methylbutyl]phenolate Formula: C20H22ClN2O4- MolecularWeight: 389.85268

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23ClN2O4/c1-5-6-11(2)14-7-8-17(24)16(9-14)22-10-15-12(3)18(21)13(4)19(20(15)25)23(26)27/h7-11,22,24H,5-6H2,1-4H3/p-1/t11-/m0/s1