4-[2-azanyl-3-(prop-2-enylcarbamoyl)pyrrolo[3,2-b]quinoxalin-1-yl]benzoate

Systemtic Name: 4-[2-azanyl-3-(prop-2-enylcarbamoyl)pyrrolo[3,2-b]quinoxalin-1-yl]benzoate Openeye Name: 4-[3-(allylcarbamoyl)-2-amino-pyrrolo[3,2-b]quinoxalin-1-yl]benzoate CAS Name: 4-[2-amino-3-[oxo-(prop-2-enylamino)methyl]-1-pyrrolo[3,2-b]quinoxalinyl]benzoate IUPAC Name: 4-[2-amino-3-(prop-2-enylcarbamoyl)pyrrolo[3,2-b]quinoxalin-1-yl]benzoate Traditional Name: 4-[3-(allylcarbamoyl)-2-amino-pyrrolo[3,2-b]quinoxalin-1-yl]benzoate Formula: C21H16N5O3- MolecularWeight: 386.38344

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)C4=CC=C(C=C4)C(=O)[O-])N

Isomeric SMILES

C=CCNC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)C4=CC=C(C=C4)C(=O)[O-])N

InChI

InChI=1S/C21H17N5O3/c1-2-11-23-20(27)16-17-19(25-15-6-4-3-5-14(15)24-17)26(18(16)22)13-9-7-12(8-10-13)21(28)29/h2-10H,1,11,22H2,(H,23,27)(H,28,29)/p-1