N-[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-5-nitro-2-piperidin-1-yl-benzamide

Systemtic Name: N-[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-5-nitro-2-piperidin-1-yl-benzamide Openeye Name: N-[2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl]-5-nitro-2-(1-piperidyl)benzamide CAS Name: N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-5-nitro-2-(1-piperidinyl)benzamide IUPAC Name: N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-5-nitro-2-piperidin-1-ylbenzamide Traditional Name: N-[2-(4-bromo-2-methyl-anilino)-2-keto-ethyl]-5-nitro-2-piperidino-benzamide Formula: C21H23BrN4O4 MolecularWeight: 475.33572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)CNC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCCCC3

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)CNC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCCCC3

InChI

InChI=1S/C21H23BrN4O4/c1-14-11-15(22)5-7-18(14)24-20(27)13-23-21(28)17-12-16(26(29)30)6-8-19(17)25-9-3-2-4-10-25/h5-8,11-12H,2-4,9-10,13H2,1H3,(H,23,28)(H,24,27)