2-acetyloxybenzoic acid; ethyl 4-[bis(azanyl)methylideneamino]-2-oxidanyl-benzoate

Systemtic Name: 2-acetyloxybenzoic acid; ethyl 4-[bis(azanyl)methylideneamino]-2-oxidanyl-benzoate Openeye Name: 2-acetoxybenzoic acid; ethyl 4-guanidino-2-hydroxy-benzoate CAS Name: 2-acetyloxybenzoic acid; 4-(diaminomethylideneamino)-2-hydroxybenzoic acid ethyl ester IUPAC Name: 2-acetyloxybenzoic acid; ethyl 4-(diaminomethylideneamino)-2-hydroxybenzoate Traditional Name: 2-acetoxybenzoic acid; 4-guanidino-2-hydroxy-benzoic acid ethyl ester Formula: C19H21N3O7 MolecularWeight: 403.38594

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(C=C1)N=C(N)N)O.CC(=O)OC1=CC=CC=C1C(=O)O

Isomeric SMILES

CCOC(=O)C1=C(C=C(C=C1)N=C(N)N)O.CC(=O)OC1=CC=CC=C1C(=O)O

InChI

InChI=1S/C10H13N3O3.C9H8O4/c1-2-16-9(15)7-4-3-6(5-8(7)14)13-10(11)12;1-6(10)13-8-5-3-2-4-7(8)9(11)12/h3-5,14H,2H2,1H3,(H4,11,12,13);2-5H,1H3,(H,11,12)