N-[(2S)-1-[(4-ethoxy-3-methoxy-phenyl)amino]-1-oxidanylidene-propan-2-yl]-3-nitro-benzamide

Systemtic Name: N-[(2S)-1-[(4-ethoxy-3-methoxy-phenyl)amino]-1-oxidanylidene-propan-2-yl]-3-nitro-benzamide Openeye Name: N-[(1S)-2-(4-ethoxy-3-methoxy-anilino)-1-methyl-2-oxo-ethyl]-3-nitro-benzamide CAS Name: N-[(2S)-1-(4-ethoxy-3-methoxyanilino)-1-oxopropan-2-yl]-3-nitrobenzamide IUPAC Name: N-[(2S)-1-(4-ethoxy-3-methoxyanilino)-1-oxopropan-2-yl]-3-nitrobenzamide Traditional Name: N-[(1S)-2-(4-ethoxy-3-methoxy-anilino)-2-keto-1-methyl-ethyl]-3-nitro-benzamide Formula: C19H21N3O6 MolecularWeight: 387.38654

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)C(C)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-])OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)[C@H](C)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-])OC

InChI

InChI=1S/C19H21N3O6/c1-4-28-16-9-8-14(11-17(16)27-3)21-18(23)12(2)20-19(24)13-6-5-7-15(10-13)22(25)26/h5-12H,4H2,1-3H3,(H,20,24)(H,21,23)/t12-/m0/s1