N-[2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-2-oxidanylidene-ethyl]-4-methyl-3-nitro-benzamide

Systemtic Name: N-[2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-2-oxidanylidene-ethyl]-4-methyl-3-nitro-benzamide Openeye Name: N-[2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-2-oxo-ethyl]-4-methyl-3-nitro-benzamide CAS Name: N-[2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-2-oxoethyl]-4-methyl-3-nitrobenzamide IUPAC Name: N-[2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-2-oxoethyl]-4-methyl-3-nitrobenzamide Traditional Name: N-[2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-2-keto-ethyl]-4-methyl-3-nitro-benzamide Formula: C20H21N3O6 MolecularWeight: 399.39724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NCC(=O)NC(C)C2=CC3=C(C=C2)OCCO3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NCC(=O)NC(C)C2=CC3=C(C=C2)OCCO3)[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O6/c1-12-3-4-15(9-16(12)23(26)27)20(25)21-11-19(24)22-13(2)14-5-6-17-18(10-14)29-8-7-28-17/h3-6,9-10,13H,7-8,11H2,1-2H3,(H,21,25)(H,22,24)