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

Systemtic Name: 2-(1,3-benzoxazol-2-yl)-4-[(5-bromanyl-3-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]phenolate Openeye Name: 2-(1,3-benzoxazol-2-yl)-4-[(5-bromo-3-nitro-6-oxo-cyclohexa-2,4-dien-1-ylidene)methylamino]phenolate CAS Name: 2-(1,3-benzoxazol-2-yl)-4-[(5-bromo-3-nitro-6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]phenolate IUPAC Name: 2-(1,3-benzoxazol-2-yl)-4-[(5-bromo-3-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]phenolate Traditional Name: 2-(1,3-benzoxazol-2-yl)-4-[(5-bromo-6-keto-3-nitro-cyclohexa-2,4-dien-1-ylidene)methylamino]phenolate Formula: C20H11BrN3O5- MolecularWeight: 453.22244

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H12BrN3O5/c21-15-9-13(24(27)28)7-11(19(15)26)10-22-12-5-6-17(25)14(8-12)20-23-16-3-1-2-4-18(16)29-20/h1-10,22,25H/p-1