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

Systemtic Name: [2-[(7-nitro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)amino]-2-oxidanylidene-ethyl] 3-methoxy-4-methyl-benzoate Openeye Name: [2-[(7-nitro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)amino]-2-oxo-ethyl] 3-methoxy-4-methyl-benzoate CAS Name: 3-methoxy-4-methylbenzoic 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] 3-methoxy-4-methylbenzoate Traditional Name: 3-methoxy-4-methyl-benzoic 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=C(C=C(C=C1)C(=O)OCC(=O)NC2=CC3=C(C=C2[N+](=O)[O-])OCCCO3)OC

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O8/c1-12-4-5-13(8-16(12)27-2)20(24)30-11-19(23)21-14-9-17-18(10-15(14)22(25)26)29-7-3-6-28-17/h4-5,8-10H,3,6-7,11H2,1-2H3,(H,21,23)