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

Systemtic Name: 4-(2-azanyl-3-ethoxycarbonyl-pyrrolo[3,2-b]quinoxalin-1-yl)-2-oxidanyl-benzoate Openeye Name: 4-(2-amino-3-ethoxycarbonyl-pyrrolo[3,2-b]quinoxalin-1-yl)-2-hydroxy-benzoate CAS Name: 4-(2-amino-3-ethoxycarbonyl-1-pyrrolo[3,2-b]quinoxalinyl)-2-hydroxybenzoate IUPAC Name: 4-(2-amino-3-ethoxycarbonylpyrrolo[3,2-b]quinoxalin-1-yl)-2-hydroxybenzoate Traditional Name: 4-(2-amino-3-carbethoxy-pyrrolo[3,2-b]quinoxalin-1-yl)-2-hydroxy-benzoate Formula: C20H15N4O5- MolecularWeight: 391.3569

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16N4O5/c1-2-29-20(28)15-16-18(23-13-6-4-3-5-12(13)22-16)24(17(15)21)10-7-8-11(19(26)27)14(25)9-10/h3-9,25H,2,21H2,1H3,(H,26,27)/p-1