2-azanyl-3-[4-[[4-[(3-nitroacridin-9-yl)amino]phenyl]carbamoylamino]phenyl]propanoic acid

Systemtic Name: 2-azanyl-3-[4-[[4-[(3-nitroacridin-9-yl)amino]phenyl]carbamoylamino]phenyl]propanoic acid Openeye Name: 2-amino-3-[4-[[4-[(3-nitroacridin-9-yl)amino]phenyl]carbamoylamino]phenyl]propanoic acid CAS Name: 2-amino-3-[4-[[[4-[(3-nitro-9-acridinyl)amino]anilino]-oxomethyl]amino]phenyl]propanoic acid IUPAC Name: 2-amino-3-[4-[[4-[(3-nitroacridin-9-yl)amino]phenyl]carbamoylamino]phenyl]propanoic acid Traditional Name: 2-amino-3-[4-[[4-[(3-nitroacridin-9-yl)amino]phenyl]carbamoylamino]phenyl]propionic acid Formula: C29H24N6O5 MolecularWeight: 536.53806

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C3C=CC(=CC3=N2)[N+](=O)[O-])NC4=CC=C(C=C4)NC(=O)NC5=CC=C(C=C5)CC(C(=O)O)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=C3C=CC(=CC3=N2)[N+](=O)[O-])NC4=CC=C(C=C4)NC(=O)NC5=CC=C(C=C5)CC(C(=O)O)N

InChI

InChI=1S/C29H24N6O5/c30-24(28(36)37)15-17-5-7-19(8-6-17)32-29(38)33-20-11-9-18(10-12-20)31-27-22-3-1-2-4-25(22)34-26-16-21(35(39)40)13-14-23(26)27/h1-14,16,24H,15,30H2,(H,31,34)(H,36,37)(H2,32,33,38)