methyl 2-[[4-[bis(azanyl)methylidenecarbamoyl]-2,3-dihydro-1-benzoxepin-9-yl]oxy]ethanoate

Systemtic Name: methyl 2-[[4-[bis(azanyl)methylidenecarbamoyl]-2,3-dihydro-1-benzoxepin-9-yl]oxy]ethanoate Openeye Name: methyl 2-[[4-(diaminomethylenecarbamoyl)-2,3-dihydro-1-benzoxepin-9-yl]oxy]acetate CAS Name: 2-[[4-[(diaminomethylideneamino)-oxomethyl]-2,3-dihydro-1-benzoxepin-9-yl]oxy]acetic acid methyl ester IUPAC Name: methyl 2-[[4-(diaminomethylidenecarbamoyl)-2,3-dihydro-1-benzoxepin-9-yl]oxy]acetate Traditional Name: 2-[[4-(diaminomethylenecarbamoyl)-2,3-dihydro-1-benzoxepin-9-yl]oxy]acetic acid methyl ester Formula: C15H17N3O5 MolecularWeight: 319.31258

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)COC1=CC=CC2=C1OCCC(=C2)C(=O)N=C(N)N

Isomeric SMILES

COC(=O)COC1=CC=CC2=C1OCCC(=C2)C(=O)N=C(N)N

InChI

InChI=1S/C15H17N3O5/c1-21-12(19)8-23-11-4-2-3-9-7-10(5-6-22-13(9)11)14(20)18-15(16)17/h2-4,7H,5-6,8H2,1H3,(H4,16,17,18,20)