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

Systemtic Name: 4-[[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]amino]-3-nitro-benzamide Openeye Name: 4-[[2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl]amino]-3-nitro-benzamide CAS Name: 4-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]amino]-3-nitrobenzamide IUPAC Name: 4-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]amino]-3-nitrobenzamide Traditional Name: 4-[[2-(4-bromo-2-methyl-anilino)-2-keto-ethyl]amino]-3-nitro-benzamide Formula: C16H15BrN4O4 MolecularWeight: 407.2187

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)CNC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)CNC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C16H15BrN4O4/c1-9-6-11(17)3-5-12(9)20-15(22)8-19-13-4-2-10(16(18)23)7-14(13)21(24)25/h2-7,19H,8H2,1H3,(H2,18,23)(H,20,22)