4-[bis(azanyl)methylidenecarbamoyl]-2,3-dihydro-1-benzoxepine-9-carboxylic acid

Systemtic Name: 4-[bis(azanyl)methylidenecarbamoyl]-2,3-dihydro-1-benzoxepine-9-carboxylic acid Openeye Name: 4-(diaminomethylenecarbamoyl)-2,3-dihydro-1-benzoxepine-9-carboxylic acid CAS Name: 4-[(diaminomethylideneamino)-oxomethyl]-2,3-dihydro-1-benzoxepin-9-carboxylic acid IUPAC Name: 4-(diaminomethylidenecarbamoyl)-2,3-dihydro-1-benzoxepine-9-carboxylic acid Traditional Name: 4-(diaminomethylenecarbamoyl)-2,3-dihydro-1-benzoxepin-9-carboxylic acid Formula: C13H13N3O4 MolecularWeight: 275.26002

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=CC=C2C(=O)O)C=C1C(=O)N=C(N)N

Isomeric SMILES

C1COC2=C(C=CC=C2C(=O)O)C=C1C(=O)N=C(N)N

InChI

InChI=1S/C13H13N3O4/c14-13(15)16-11(17)8-4-5-20-10-7(6-8)2-1-3-9(10)12(18)19/h1-3,6H,4-5H2,(H,18,19)(H4,14,15,16,17)