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

Systemtic Name: N-[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-4-(cyclopropylamino)-N-methyl-3-nitro-benzamide Openeye Name: N-[2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl]-4-(cyclopropylamino)-N-methyl-3-nitro-benzamide CAS Name: N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-4-(cyclopropylamino)-N-methyl-3-nitrobenzamide IUPAC Name: N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-4-(cyclopropylamino)-N-methyl-3-nitrobenzamide Traditional Name: N-[2-(4-bromo-2-methyl-anilino)-2-keto-ethyl]-4-(cyclopropylamino)-N-methyl-3-nitro-benzamide Formula: C20H21BrN4O4 MolecularWeight: 461.30914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)CN(C)C(=O)C2=CC(=C(C=C2)NC3CC3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)CN(C)C(=O)C2=CC(=C(C=C2)NC3CC3)[N+](=O)[O-]

InChI

InChI=1S/C20H21BrN4O4/c1-12-9-14(21)4-8-16(12)23-19(26)11-24(2)20(27)13-3-7-17(22-15-5-6-15)18(10-13)25(28)29/h3-4,7-10,15,22H,5-6,11H2,1-2H3,(H,23,26)