N-[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-4-(methylamino)-3-nitro-benzamide

Systemtic Name: N-[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-4-(methylamino)-3-nitro-benzamide Openeye Name: N-[2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl]-4-(methylamino)-3-nitro-benzamide CAS Name: N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-4-(methylamino)-3-nitrobenzamide IUPAC Name: N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-4-(methylamino)-3-nitrobenzamide Traditional Name: N-[2-(4-bromo-2-methyl-anilino)-2-keto-ethyl]-4-(methylamino)-3-nitro-benzamide Formula: C17H17BrN4O4 MolecularWeight: 421.24528

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17BrN4O4/c1-10-7-12(18)4-6-13(10)21-16(23)9-20-17(24)11-3-5-14(19-2)15(8-11)22(25)26/h3-8,19H,9H2,1-2H3,(H,20,24)(H,21,23)