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

Systemtic Name: 4-[3-[4-(3-azanylpropylcarbamoyl)phenyl]-5-nitro-indazol-1-yl]benzoic acid Openeye Name: 4-[3-[4-(3-aminopropylcarbamoyl)phenyl]-5-nitro-indazol-1-yl]benzoic acid CAS Name: 4-[3-[4-[(3-aminopropylamino)-oxomethyl]phenyl]-5-nitro-1-indazolyl]benzoic acid IUPAC Name: 4-[3-[4-(3-aminopropylcarbamoyl)phenyl]-5-nitroindazol-1-yl]benzoic acid Traditional Name: 4-[3-[4-(3-aminopropylcarbamoyl)phenyl]-5-nitro-indazol-1-yl]benzoic acid Formula: C24H21N5O5 MolecularWeight: 459.45404

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NN(C3=C2C=C(C=C3)[N+](=O)[O-])C4=CC=C(C=C4)C(=O)O)C(=O)NCCCN

Isomeric SMILES

C1=CC(=CC=C1C2=NN(C3=C2C=C(C=C3)[N+](=O)[O-])C4=CC=C(C=C4)C(=O)O)C(=O)NCCCN

InChI

InChI=1S/C24H21N5O5/c25-12-1-13-26-23(30)16-4-2-15(3-5-16)22-20-14-19(29(33)34)10-11-21(20)28(27-22)18-8-6-17(7-9-18)24(31)32/h2-11,14H,1,12-13,25H2,(H,26,30)(H,31,32)