[2-[(7-nitro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)amino]-2-oxidanylidene-ethyl] 2-(3-methylphenoxy)ethanoate

Systemtic Name: [2-[(7-nitro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)amino]-2-oxidanylidene-ethyl] 2-(3-methylphenoxy)ethanoate Openeye Name: [2-[(7-nitro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)amino]-2-oxo-ethyl] 2-(3-methylphenoxy)acetate CAS Name: 2-(3-methylphenoxy)acetic acid [2-[(7-nitro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(7-nitro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)amino]-2-oxoethyl] 2-(3-methylphenoxy)acetate Traditional Name: 2-(3-methylphenoxy)acetic acid [2-keto-2-[(7-nitro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)amino]ethyl] ester Formula: C20H20N2O8 MolecularWeight: 416.3814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCC(=O)OCC(=O)NC2=CC3=C(C=C2[N+](=O)[O-])OCCCO3

Isomeric SMILES

CC1=CC(=CC=C1)OCC(=O)OCC(=O)NC2=CC3=C(C=C2[N+](=O)[O-])OCCCO3

InChI

InChI=1S/C20H20N2O8/c1-13-4-2-5-14(8-13)29-12-20(24)30-11-19(23)21-15-9-17-18(10-16(15)22(25)26)28-7-3-6-27-17/h2,4-5,8-10H,3,6-7,11-12H2,1H3,(H,21,23)