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

Systemtic Name: 4-chloranyl-N-[(2S)-1-[(4-dimethylaminophenyl)methylamino]-1-oxidanylidene-propan-2-yl]-3-nitro-benzamide Openeye Name: 4-chloro-N-[(1S)-2-[(4-dimethylaminophenyl)methylamino]-1-methyl-2-oxo-ethyl]-3-nitro-benzamide CAS Name: 4-chloro-N-[(2S)-1-[(4-dimethylaminophenyl)methylamino]-1-oxopropan-2-yl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[(2S)-1-[(4-dimethylaminophenyl)methylamino]-1-oxopropan-2-yl]-3-nitrobenzamide Traditional Name: 4-chloro-N-[(1S)-2-[[4-(dimethylamino)benzyl]amino]-2-keto-1-methyl-ethyl]-3-nitro-benzamide Formula: C19H21ClN4O4 MolecularWeight: 404.84744

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21ClN4O4/c1-12(18(25)21-11-13-4-7-15(8-5-13)23(2)3)22-19(26)14-6-9-16(20)17(10-14)24(27)28/h4-10,12H,11H2,1-3H3,(H,21,25)(H,22,26)/t12-/m0/s1