N-[4-[1-(2-azanylethylamino)-1-oxidanylidene-propan-2-yl]phenyl]-4-nitro-benzamide

Systemtic Name: N-[4-[1-(2-azanylethylamino)-1-oxidanylidene-propan-2-yl]phenyl]-4-nitro-benzamide Openeye Name: N-[4-[2-(2-aminoethylamino)-1-methyl-2-oxo-ethyl]phenyl]-4-nitro-benzamide CAS Name: N-[4-[1-(2-aminoethylamino)-1-oxopropan-2-yl]phenyl]-4-nitrobenzamide IUPAC Name: N-[4-[1-(2-aminoethylamino)-1-oxopropan-2-yl]phenyl]-4-nitrobenzamide Traditional Name: N-[4-[2-(2-aminoethylamino)-2-keto-1-methyl-ethyl]phenyl]-4-nitro-benzamide Formula: C18H20N4O4 MolecularWeight: 356.3758

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N4O4/c1-12(17(23)20-11-10-19)13-2-6-15(7-3-13)21-18(24)14-4-8-16(9-5-14)22(25)26/h2-9,12H,10-11,19H2,1H3,(H,20,23)(H,21,24)