4-[(5-bromanyl-3-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]-1,5-dimethyl-2-phenyl-pyrazol-3-one

Systemtic Name: 4-[(5-bromanyl-3-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]-1,5-dimethyl-2-phenyl-pyrazol-3-one Openeye Name: 4-[(5-bromo-3-nitro-6-oxo-cyclohexa-2,4-dien-1-ylidene)methylamino]-1,5-dimethyl-2-phenyl-pyrazol-3-one CAS Name: 4-[(5-bromo-3-nitro-6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]-1,5-dimethyl-2-phenyl-3-pyrazolone IUPAC Name: 4-[(5-bromo-3-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]-1,5-dimethyl-2-phenylpyrazol-3-one Traditional Name: 4-[(5-bromo-6-keto-3-nitro-cyclohexa-2,4-dien-1-ylidene)methylamino]-1,5-dimethyl-2-phenyl-3-pyrazolin-3-one Formula: C18H15BrN4O4 MolecularWeight: 431.2401

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC=C3C=C(C=C(C3=O)Br)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC=C3C=C(C=C(C3=O)Br)[N+](=O)[O-]

InChI

InChI=1S/C18H15BrN4O4/c1-11-16(18(25)22(21(11)2)13-6-4-3-5-7-13)20-10-12-8-14(23(26)27)9-15(19)17(12)24/h3-10,20H,1-2H3