N-[(2S)-1-[2-(2,4-dichlorophenyl)ethylamino]-1-oxidanylidene-propan-2-yl]-3-nitro-benzamide

Systemtic Name: N-[(2S)-1-[2-(2,4-dichlorophenyl)ethylamino]-1-oxidanylidene-propan-2-yl]-3-nitro-benzamide Openeye Name: N-[(1S)-2-[2-(2,4-dichlorophenyl)ethylamino]-1-methyl-2-oxo-ethyl]-3-nitro-benzamide CAS Name: N-[(2S)-1-[2-(2,4-dichlorophenyl)ethylamino]-1-oxopropan-2-yl]-3-nitrobenzamide IUPAC Name: N-[(2S)-1-[2-(2,4-dichlorophenyl)ethylamino]-1-oxopropan-2-yl]-3-nitrobenzamide Traditional Name: N-[(1S)-2-[2-(2,4-dichlorophenyl)ethylamino]-2-keto-1-methyl-ethyl]-3-nitro-benzamide Formula: C18H17Cl2N3O4 MolecularWeight: 410.25128

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCC1=C(C=C(C=C1)Cl)Cl)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

C[C@@H](C(=O)NCCC1=C(C=C(C=C1)Cl)Cl)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H17Cl2N3O4/c1-11(22-18(25)13-3-2-4-15(9-13)23(26)27)17(24)21-8-7-12-5-6-14(19)10-16(12)20/h2-6,9-11H,7-8H2,1H3,(H,21,24)(H,22,25)/t11-/m0/s1