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

Systemtic Name: 2-[(5-bromanyl-3-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]-3-methyl-phenolate Openeye Name: 2-[(5-bromo-3-nitro-6-oxo-cyclohexa-2,4-dien-1-ylidene)methylamino]-3-methyl-phenolate CAS Name: 2-[(5-bromo-3-nitro-6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]-3-methylphenolate IUPAC Name: 2-[(5-bromo-3-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]-3-methylphenolate Traditional Name: 2-[(5-bromo-6-keto-3-nitro-cyclohexa-2,4-dien-1-ylidene)methylamino]-3-methyl-phenolate Formula: C14H10BrN2O4- MolecularWeight: 350.1442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)[O-])NC=C2C=C(C=C(C2=O)Br)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=CC=C1)[O-])NC=C2C=C(C=C(C2=O)Br)[N+](=O)[O-]

InChI

InChI=1S/C14H11BrN2O4/c1-8-3-2-4-12(18)13(8)16-7-9-5-10(17(20)21)6-11(15)14(9)19/h2-7,16,18H,1H3/p-1