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

Systemtic Name: 4-[(5-bromanyl-3-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]-2-(4-methyl-1,3-benzoxazol-2-yl)phenolate Openeye Name: 4-[(5-bromo-3-nitro-6-oxo-cyclohexa-2,4-dien-1-ylidene)methylamino]-2-(4-methyl-1,3-benzoxazol-2-yl)phenolate CAS Name: 4-[(5-bromo-3-nitro-6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]-2-(4-methyl-1,3-benzoxazol-2-yl)phenolate IUPAC Name: 4-[(5-bromo-3-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]-2-(4-methyl-1,3-benzoxazol-2-yl)phenolate Traditional Name: 4-[(5-bromo-6-keto-3-nitro-cyclohexa-2,4-dien-1-ylidene)methylamino]-2-(4-methyl-1,3-benzoxazol-2-yl)phenolate Formula: C21H13BrN3O5- MolecularWeight: 467.24902

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)OC(=N2)C3=C(C=CC(=C3)NC=C4C=C(C=C(C4=O)Br)[N+](=O)[O-])[O-]

Isomeric SMILES

CC1=C2C(=CC=C1)OC(=N2)C3=C(C=CC(=C3)NC=C4C=C(C=C(C4=O)Br)[N+](=O)[O-])[O-]

InChI

InChI=1S/C21H14BrN3O5/c1-11-3-2-4-18-19(11)24-21(30-18)15-8-13(5-6-17(15)26)23-10-12-7-14(25(28)29)9-16(22)20(12)27/h2-10,23,26H,1H3/p-1