[1-[(E)-3-(5-azanyl-2-oxidanyl-phenyl)prop-2-enoyl]pyrrolidin-2-yl] carbamate hydrochloride

Systemtic Name: [1-[(E)-3-(5-azanyl-2-oxidanyl-phenyl)prop-2-enoyl]pyrrolidin-2-yl] carbamate hydrochloride Openeye Name: [1-[(E)-3-(5-amino-2-hydroxy-phenyl)prop-2-enoyl]pyrrolidin-2-yl] carbamate hydrochloride CAS Name: carbamic acid [1-[(E)-3-(5-amino-2-hydroxyphenyl)-1-oxoprop-2-enyl]-2-pyrrolidinyl] ester hydrochloride IUPAC Name: [1-[(E)-3-(5-amino-2-hydroxyphenyl)prop-2-enoyl]pyrrolidin-2-yl] carbamate hydrochloride Traditional Name: carbamic acid [1-[(E)-3-(5-amino-2-hydroxy-phenyl)acryloyl]pyrrolidin-2-yl] ester hydrochloride Formula: C14H18ClN3O4 MolecularWeight: 327.76342

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C=CC2=C(C=CC(=C2)N)O)OC(=O)N.Cl

Isomeric SMILES

C1CC(N(C1)C(=O)/C=C/C2=C(C=CC(=C2)N)O)OC(=O)N.Cl

InChI

InChI=1S/C14H17N3O4.ClH/c15-10-4-5-11(18)9(8-10)3-6-12(19)17-7-1-2-13(17)21-14(16)20;/h3-6,8,13,18H,1-2,7,15H2,(H2,16,20);1H/b6-3+;