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

Systemtic Name: 4-(azepan-1-yl)-N-[(2S)-1-(ethylamino)-1-oxidanylidene-propan-2-yl]-3-nitro-benzamide Openeye Name: 4-(azepan-1-yl)-N-[(1S)-2-(ethylamino)-1-methyl-2-oxo-ethyl]-3-nitro-benzamide CAS Name: 4-(1-azepanyl)-N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-3-nitrobenzamide IUPAC Name: 4-(azepan-1-yl)-N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-3-nitrobenzamide Traditional Name: 4-(azepan-1-yl)-N-[(1S)-2-(ethylamino)-2-keto-1-methyl-ethyl]-3-nitro-benzamide Formula: C18H26N4O4 MolecularWeight: 362.42344

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C(C)NC(=O)C1=CC(=C(C=C1)N2CCCCCC2)[N+](=O)[O-]

Isomeric SMILES

CCNC(=O)[C@H](C)NC(=O)C1=CC(=C(C=C1)N2CCCCCC2)[N+](=O)[O-]

InChI

InChI=1S/C18H26N4O4/c1-3-19-17(23)13(2)20-18(24)14-8-9-15(16(12-14)22(25)26)21-10-6-4-5-7-11-21/h8-9,12-13H,3-7,10-11H2,1-2H3,(H,19,23)(H,20,24)/t13-/m0/s1