4-[[6-(2,3-dihydroindol-1-yl)-5-nitro-pyrimidin-4-yl]amino]benzoic acid

Systemtic Name: 4-[[6-(2,3-dihydroindol-1-yl)-5-nitro-pyrimidin-4-yl]amino]benzoic acid Openeye Name: 4-[(6-indolin-1-yl-5-nitro-pyrimidin-4-yl)amino]benzoic acid CAS Name: 4-[[6-(2,3-dihydroindol-1-yl)-5-nitro-4-pyrimidinyl]amino]benzoic acid IUPAC Name: 4-[[6-(2,3-dihydroindol-1-yl)-5-nitropyrimidin-4-yl]amino]benzoic acid Traditional Name: 4-[(6-indolin-1-yl-5-nitro-pyrimidin-4-yl)amino]benzoic acid Formula: C19H15N5O4 MolecularWeight: 377.3535

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=CC=CC=C21)C3=C(C(=NC=N3)NC4=CC=C(C=C4)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1CN(C2=CC=CC=C21)C3=C(C(=NC=N3)NC4=CC=C(C=C4)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C19H15N5O4/c25-19(26)13-5-7-14(8-6-13)22-17-16(24(27)28)18(21-11-20-17)23-10-9-12-3-1-2-4-15(12)23/h1-8,11H,9-10H2,(H,25,26)(H,20,21,22)