4-[3-[4-[3-(methylamino)propylcarbamoyl]phenyl]-5-nitro-indazol-1-yl]benzoic acid

Systemtic Name: 4-[3-[4-[3-(methylamino)propylcarbamoyl]phenyl]-5-nitro-indazol-1-yl]benzoic acid Openeye Name: 4-[3-[4-[3-(methylamino)propylcarbamoyl]phenyl]-5-nitro-indazol-1-yl]benzoic acid CAS Name: 4-[3-[4-[[3-(methylamino)propylamino]-oxomethyl]phenyl]-5-nitro-1-indazolyl]benzoic acid IUPAC Name: 4-[3-[4-[3-(methylamino)propylcarbamoyl]phenyl]-5-nitroindazol-1-yl]benzoic acid Traditional Name: 4-[3-[4-[3-(methylamino)propylcarbamoyl]phenyl]-5-nitro-indazol-1-yl]benzoic acid Formula: C25H23N5O5 MolecularWeight: 473.48062

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Descriptors Computed from Structure

Canonical SMILES:

CNCCCNC(=O)C1=CC=C(C=C1)C2=NN(C3=C2C=C(C=C3)[N+](=O)[O-])C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

CNCCCNC(=O)C1=CC=C(C=C1)C2=NN(C3=C2C=C(C=C3)[N+](=O)[O-])C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C25H23N5O5/c1-26-13-2-14-27-24(31)17-5-3-16(4-6-17)23-21-15-20(30(34)35)11-12-22(21)29(28-23)19-9-7-18(8-10-19)25(32)33/h3-12,15,26H,2,13-14H2,1H3,(H,27,31)(H,32,33)