2-[(Z)-[[5-[(3-bromophenyl)amino]-5-oxidanylidene-pentanoyl]hydrazinylidene]methyl]-4-nitro-phenolate

Systemtic Name: 2-[(Z)-[[5-[(3-bromophenyl)amino]-5-oxidanylidene-pentanoyl]hydrazinylidene]methyl]-4-nitro-phenolate Openeye Name: 2-[(Z)-[[5-(3-bromoanilino)-5-oxo-pentanoyl]hydrazono]methyl]-4-nitro-phenolate CAS Name: 2-[(Z)-[[5-(3-bromoanilino)-1,5-dioxopentyl]hydrazinylidene]methyl]-4-nitrophenolate IUPAC Name: 2-[(Z)-[[5-(3-bromoanilino)-5-oxopentanoyl]hydrazinylidene]methyl]-4-nitrophenolate Traditional Name: 2-[(Z)-[[5-(3-bromoanilino)-5-keto-pentanoyl]hydrazono]methyl]-4-nitro-phenolate Formula: C18H16BrN4O5- MolecularWeight: 448.24744

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)NC(=O)CCCC(=O)NN=CC2=C(C=CC(=C2)[N+](=O)[O-])[O-]

Isomeric SMILES

C1=CC(=CC(=C1)Br)NC(=O)CCCC(=O)N/N=C\C2=C(C=CC(=C2)[N+](=O)[O-])[O-]

InChI

InChI=1S/C18H17BrN4O5/c19-13-3-1-4-14(10-13)21-17(25)5-2-6-18(26)22-20-11-12-9-15(23(27)28)7-8-16(12)24/h1,3-4,7-11,24H,2,5-6H2,(H,21,25)(H,22,26)/p-1/b20-11-