4-[6-azanyl-5-cyano-3-methyl-4-(3-nitrophenyl)-6H-pyrano[2,3-c]pyrazol-1-yl]benzoic acid

Systemtic Name: 4-[6-azanyl-5-cyano-3-methyl-4-(3-nitrophenyl)-6H-pyrano[2,3-c]pyrazol-1-yl]benzoic acid Openeye Name: 4-[6-amino-5-cyano-3-methyl-4-(3-nitrophenyl)-6H-pyrano[2,3-c]pyrazol-1-yl]benzoic acid CAS Name: 4-[6-amino-5-cyano-3-methyl-4-(3-nitrophenyl)-6H-pyrano[2,3-c]pyrazol-1-yl]benzoic acid IUPAC Name: 4-[6-amino-5-cyano-3-methyl-4-(3-nitrophenyl)-6H-pyrano[2,3-c]pyrazol-1-yl]benzoic acid Traditional Name: 4-[6-amino-5-cyano-3-methyl-4-(3-nitrophenyl)-6H-pyrano[2,3-c]pyrazol-1-yl]benzoic acid Formula: C21H15N5O5 MolecularWeight: 417.3743

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C(=C(C(O2)N)C#N)C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

CC1=NN(C2=C1C(=C(C(O2)N)C#N)C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C21H15N5O5/c1-11-17-18(13-3-2-4-15(9-13)26(29)30)16(10-22)19(23)31-20(17)25(24-11)14-7-5-12(6-8-14)21(27)28/h2-9,19H,23H2,1H3,(H,27,28)