[2-[(2-chloranyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylate

Systemtic Name: [2-[(2-chloranyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylate Openeye Name: [2-(2-chloro-4-nitro-anilino)-2-oxo-ethyl] 6-chloro-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylate CAS Name: 6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxylic acid [2-(2-chloro-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-chloro-4-nitroanilino)-2-oxoethyl] 6-chloro-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylate Traditional Name: 6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxylic acid [2-(2-chloro-4-nitro-anilino)-2-keto-ethyl] ester Formula: C18H14Cl2N2O7 MolecularWeight: 441.21896

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)C(=O)OCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Cl)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)C(=O)OCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Cl)Cl)OC1

InChI

InChI=1S/C18H14Cl2N2O7/c19-12-8-11(22(25)26)2-3-14(12)21-16(23)9-29-18(24)10-6-13(20)17-15(7-10)27-4-1-5-28-17/h2-3,6-8H,1,4-5,9H2,(H,21,23)