ethyl N-[4-[bis(azanyl)methylidenecarbamoyl]-2,3-dihydro-1-benzoxepin-9-yl]carbamate

Systemtic Name: ethyl N-[4-[bis(azanyl)methylidenecarbamoyl]-2,3-dihydro-1-benzoxepin-9-yl]carbamate Openeye Name: ethyl N-[4-(diaminomethylenecarbamoyl)-2,3-dihydro-1-benzoxepin-9-yl]carbamate CAS Name: N-[4-[(diaminomethylideneamino)-oxomethyl]-2,3-dihydro-1-benzoxepin-9-yl]carbamic acid ethyl ester IUPAC Name: ethyl N-[4-(diaminomethylidenecarbamoyl)-2,3-dihydro-1-benzoxepin-9-yl]carbamate Traditional Name: N-[4-(diaminomethylenecarbamoyl)-2,3-dihydro-1-benzoxepin-9-yl]carbamic acid ethyl ester Formula: C15H18N4O4 MolecularWeight: 318.32782

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC1=CC=CC2=C1OCCC(=C2)C(=O)N=C(N)N

Isomeric SMILES

CCOC(=O)NC1=CC=CC2=C1OCCC(=C2)C(=O)N=C(N)N

InChI

InChI=1S/C15H18N4O4/c1-2-22-15(21)18-11-5-3-4-9-8-10(6-7-23-12(9)11)13(20)19-14(16)17/h3-5,8H,2,6-7H2,1H3,(H,18,21)(H4,16,17,19,20)