methanoic acid; 2-(propan-2-ylamino)ethyl 4-azanyl-2-chloranyl-benzoate

Systemtic Name: methanoic acid; 2-(propan-2-ylamino)ethyl 4-azanyl-2-chloranyl-benzoate Openeye Name: formic acid; 2-(isopropylamino)ethyl 4-amino-2-chloro-benzoate CAS Name: 4-amino-2-chlorobenzoic acid 2-(propan-2-ylamino)ethyl ester; formic acid IUPAC Name: formic acid; 2-(propan-2-ylamino)ethyl 4-amino-2-chlorobenzoate Traditional Name: 4-amino-2-chloro-benzoic acid 2-(isopropylamino)ethyl ester; formic acid Formula: C13H19ClN2O4 MolecularWeight: 302.75396

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NCCOC(=O)C1=C(C=C(C=C1)N)Cl.C(=O)O

Isomeric SMILES

CC(C)NCCOC(=O)C1=C(C=C(C=C1)N)Cl.C(=O)O

InChI

InChI=1S/C12H17ClN2O2.CH2O2/c1-8(2)15-5-6-17-12(16)10-4-3-9(14)7-11(10)13;2-1-3/h3-4,7-8,15H,5-6,14H2,1-2H3;1H,(H,2,3)