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

Systemtic Name: 3-[2-azanyl-3-(prop-2-enylcarbamoyl)pyrrolo[3,2-b]quinoxalin-1-yl]benzoic acid Openeye Name: 3-[3-(allylcarbamoyl)-2-amino-pyrrolo[3,2-b]quinoxalin-1-yl]benzoic acid CAS Name: 3-[2-amino-3-[oxo-(prop-2-enylamino)methyl]-1-pyrrolo[3,2-b]quinoxalinyl]benzoic acid IUPAC Name: 3-[2-amino-3-(prop-2-enylcarbamoyl)pyrrolo[3,2-b]quinoxalin-1-yl]benzoic acid Traditional Name: 3-[3-(allylcarbamoyl)-2-amino-pyrrolo[3,2-b]quinoxalin-1-yl]benzoic acid Formula: C21H17N5O3 MolecularWeight: 387.39138

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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