N-[2-[(2-ethylphenyl)amino]-2-oxidanylidene-ethyl]-6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxamide

Systemtic Name: N-[2-[(2-ethylphenyl)amino]-2-oxidanylidene-ethyl]-6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxamide Openeye Name: N-[2-(2-ethylanilino)-2-oxo-ethyl]-6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxamide CAS Name: N-[2-(2-ethylanilino)-2-oxoethyl]-6-nitro-2,3-dihydro-1,4-benzodioxin-7-carboxamide IUPAC Name: N-[2-(2-ethylanilino)-2-oxoethyl]-6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxamide Traditional Name: N-[2-(2-ethylanilino)-2-keto-ethyl]-6-nitro-2,3-dihydro-1,4-benzodioxin-7-carboxamide Formula: C19H19N3O6 MolecularWeight: 385.37066

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)CNC(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCCO3

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)CNC(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCCO3

InChI

InChI=1S/C19H19N3O6/c1-2-12-5-3-4-6-14(12)21-18(23)11-20-19(24)13-9-16-17(28-8-7-27-16)10-15(13)22(25)26/h3-6,9-10H,2,7-8,11H2,1H3,(H,20,24)(H,21,23)