4-chloranyl-N-[1-[(4-dimethylaminophenyl)methylamino]-3-methyl-1-oxidanylidene-butan-2-yl]-3-nitro-benzamide

Systemtic Name: 4-chloranyl-N-[1-[(4-dimethylaminophenyl)methylamino]-3-methyl-1-oxidanylidene-butan-2-yl]-3-nitro-benzamide Openeye Name: 4-chloro-N-[1-[(4-dimethylaminophenyl)methylcarbamoyl]-2-methyl-propyl]-3-nitro-benzamide CAS Name: 4-chloro-N-[1-[(4-dimethylaminophenyl)methylamino]-3-methyl-1-oxobutan-2-yl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[1-[(4-dimethylaminophenyl)methylamino]-3-methyl-1-oxobutan-2-yl]-3-nitrobenzamide Traditional Name: 4-chloro-N-[1-[[4-(dimethylamino)benzyl]carbamoyl]-2-methyl-propyl]-3-nitro-benzamide Formula: C21H25ClN4O4 MolecularWeight: 432.9006

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCC1=CC=C(C=C1)N(C)C)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(C)C(C(=O)NCC1=CC=C(C=C1)N(C)C)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H25ClN4O4/c1-13(2)19(21(28)23-12-14-5-8-16(9-6-14)25(3)4)24-20(27)15-7-10-17(22)18(11-15)26(29)30/h5-11,13,19H,12H2,1-4H3,(H,23,28)(H,24,27)