4-[(5-bromanyl-3-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]-2-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenolate

Systemtic Name: 4-[(5-bromanyl-3-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]-2-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenolate Openeye Name: 4-[(5-bromo-3-nitro-6-oxo-cyclohexa-2,4-dien-1-ylidene)methylamino]-2-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenolate CAS Name: 4-[(5-bromo-3-nitro-6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]-2-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenolate IUPAC Name: 4-[(5-bromo-3-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]-2-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenolate Traditional Name: 4-[(5-bromo-6-keto-3-nitro-cyclohexa-2,4-dien-1-ylidene)methylamino]-2-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenolate Formula: C22H15BrN3O5- MolecularWeight: 481.2756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)N=C(O2)C3=C(C=CC(=C3)NC=C4C=C(C=C(C4=O)Br)[N+](=O)[O-])[O-])C

Isomeric SMILES

CC1=CC(=C2C(=C1)N=C(O2)C3=C(C=CC(=C3)NC=C4C=C(C=C(C4=O)Br)[N+](=O)[O-])[O-])C

InChI

InChI=1S/C22H16BrN3O5/c1-11-5-12(2)21-18(6-11)25-22(31-21)16-8-14(3-4-19(16)27)24-10-13-7-15(26(29)30)9-17(23)20(13)28/h3-10,24,27H,1-2H3/p-1