methyl 4-(3-azanyl-3-azanylidene-propyl)benzoate

Systemtic Name: methyl 4-(3-azanyl-3-azanylidene-propyl)benzoate Openeye Name: methyl 4-(3-amino-3-imino-propyl)benzoate CAS Name: 4-(3-amino-3-iminopropyl)benzoic acid methyl ester IUPAC Name: methyl 4-(3-amino-3-iminopropyl)benzoate Traditional Name: 4-(3-amino-3-imino-propyl)benzoic acid methyl ester Formula: C11H14N2O2 MolecularWeight: 206.24106

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CCC(=N)N

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CCC(=N)N

InChI

InChI=1S/C11H14N2O2/c1-15-11(14)9-5-2-8(3-6-9)4-7-10(12)13/h2-3,5-6H,4,7H2,1H3,(H3,12,13)