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

Systemtic Name: 4-[(3-chloranyl-5-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]-2-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenolate Openeye Name: 4-[(3-chloro-5-nitro-6-oxo-cyclohexa-2,4-dien-1-ylidene)methylamino]-2-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenolate CAS Name: 4-[(3-chloro-5-nitro-6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]-2-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenolate IUPAC Name: 4-[(3-chloro-5-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]-2-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenolate Traditional Name: 4-[(3-chloro-6-keto-5-nitro-cyclohexa-2,4-dien-1-ylidene)methylamino]-2-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenolate Formula: C22H15ClN3O5- MolecularWeight: 436.8246

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)OC(=N2)C3=C(C=CC(=C3)NC=C4C=C(C=C(C4=O)[N+](=O)[O-])Cl)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1C)OC(=N2)C3=C(C=CC(=C3)NC=C4C=C(C=C(C4=O)[N+](=O)[O-])Cl)[O-]

InChI

InChI=1S/C22H16ClN3O5/c1-11-5-17-20(6-12(11)2)31-22(25-17)16-9-15(3-4-19(16)27)24-10-13-7-14(23)8-18(21(13)28)26(29)30/h3-10,24,27H,1-2H3/p-1