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

Systemtic Name: 4-azanyl-N-[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-N-methyl-3-nitro-benzamide Openeye Name: 4-amino-N-[2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl]-N-methyl-3-nitro-benzamide CAS Name: 4-amino-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methyl-3-nitrobenzamide IUPAC Name: 4-amino-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methyl-3-nitrobenzamide Traditional Name: 4-amino-N-[2-(4-bromo-2-methyl-anilino)-2-keto-ethyl]-N-methyl-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)CN(C)C(=O)C2=CC(=C(C=C2)N)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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