9-[[3-(hydroxymethyl)-5-(methoxycarbonylamino)phenyl]amino]acridine-3-carboxylic acid

Systemtic Name: 9-[[3-(hydroxymethyl)-5-(methoxycarbonylamino)phenyl]amino]acridine-3-carboxylic acid Openeye Name: 9-[3-(hydroxymethyl)-5-(methoxycarbonylamino)anilino]acridine-3-carboxylic acid CAS Name: 9-[3-(hydroxymethyl)-5-(methoxycarbonylamino)anilino]-3-acridinecarboxylic acid IUPAC Name: 9-[3-(hydroxymethyl)-5-(methoxycarbonylamino)anilino]acridine-3-carboxylic acid Traditional Name: 9-[3-(carbomethoxyamino)-5-methylol-anilino]acridine-3-carboxylic acid Formula: C23H19N3O5 MolecularWeight: 417.41406

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NC1=CC(=CC(=C1)NC2=C3C=CC(=CC3=NC4=CC=CC=C42)C(=O)O)CO

Isomeric SMILES

COC(=O)NC1=CC(=CC(=C1)NC2=C3C=CC(=CC3=NC4=CC=CC=C42)C(=O)O)CO

InChI

InChI=1S/C23H19N3O5/c1-31-23(30)25-16-9-13(12-27)8-15(11-16)24-21-17-4-2-3-5-19(17)26-20-10-14(22(28)29)6-7-18(20)21/h2-11,27H,12H2,1H3,(H,24,26)(H,25,30)(H,28,29)