3-cyano-4-(3-nitrophenyl)-9-oxidanyl-2-pyrrol-1-yl-4H-benzo[h]chromene-8-carboxylic acid

Systemtic Name: 3-cyano-4-(3-nitrophenyl)-9-oxidanyl-2-pyrrol-1-yl-4H-benzo[h]chromene-8-carboxylic acid Openeye Name: 3-cyano-9-hydroxy-4-(3-nitrophenyl)-2-pyrrol-1-yl-4H-benzo[h]chromene-8-carboxylic acid CAS Name: 3-cyano-9-hydroxy-4-(3-nitrophenyl)-2-(1-pyrrolyl)-4H-benzo[h][1]benzopyran-8-carboxylic acid IUPAC Name: 3-cyano-9-hydroxy-4-(3-nitrophenyl)-2-pyrrol-1-yl-4H-benzo[h]chromene-8-carboxylic acid Traditional Name: 3-cyano-9-hydroxy-4-(3-nitrophenyl)-2-pyrrol-1-yl-4H-benzo[h]chromene-8-carboxylic acid Formula: C25H15N3O6 MolecularWeight: 453.4031

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C=C1)C2=C(C(C3=C(O2)C4=CC(=C(C=C4C=C3)C(=O)O)O)C5=CC(=CC=C5)[N+](=O)[O-])C#N

Isomeric SMILES

C1=CN(C=C1)C2=C(C(C3=C(O2)C4=CC(=C(C=C4C=C3)C(=O)O)O)C5=CC(=CC=C5)[N+](=O)[O-])C#N

InChI

InChI=1S/C25H15N3O6/c26-13-20-22(15-4-3-5-16(10-15)28(32)33)17-7-6-14-11-19(25(30)31)21(29)12-18(14)23(17)34-24(20)27-8-1-2-9-27/h1-12,22,29H,(H,30,31)