2-(acridin-9-ylamino)-3-(3-nitro-4-oxidanyl-phenyl)propanoic acid

Systemtic Name: 2-(acridin-9-ylamino)-3-(3-nitro-4-oxidanyl-phenyl)propanoic acid Openeye Name: 2-(acridin-9-ylamino)-3-(4-hydroxy-3-nitro-phenyl)propanoic acid CAS Name: 2-(9-acridinylamino)-3-(4-hydroxy-3-nitrophenyl)propanoic acid IUPAC Name: 2-(acridin-9-ylamino)-3-(4-hydroxy-3-nitrophenyl)propanoic acid Traditional Name: 2-(acridin-9-ylamino)-3-(4-hydroxy-3-nitro-phenyl)propionic acid Formula: C22H17N3O5 MolecularWeight: 403.38748

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NC(CC4=CC(=C(C=C4)O)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NC(CC4=CC(=C(C=C4)O)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C22H17N3O5/c26-20-10-9-13(12-19(20)25(29)30)11-18(22(27)28)24-21-14-5-1-3-7-16(14)23-17-8-4-2-6-15(17)21/h1-10,12,18,26H,11H2,(H,23,24)(H,27,28)