2-azanyl-3-cyano-4-(3-nitrophenyl)-4H-benzo[h]chromene-6-carboxylic acid

Systemtic Name: 2-azanyl-3-cyano-4-(3-nitrophenyl)-4H-benzo[h]chromene-6-carboxylic acid Openeye Name: 2-amino-3-cyano-4-(3-nitrophenyl)-4H-benzo[h]chromene-6-carboxylic acid CAS Name: 2-amino-3-cyano-4-(3-nitrophenyl)-4H-benzo[h][1]benzopyran-6-carboxylic acid IUPAC Name: 2-amino-3-cyano-4-(3-nitrophenyl)-4H-benzo[h]chromene-6-carboxylic acid Traditional Name: 2-amino-3-cyano-4-(3-nitrophenyl)-4H-benzo[h]chromene-6-carboxylic acid Formula: C21H13N3O5 MolecularWeight: 387.34502

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC3=C2OC(=C(C3C4=CC(=CC=C4)[N+](=O)[O-])C#N)N)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC3=C2OC(=C(C3C4=CC(=CC=C4)[N+](=O)[O-])C#N)N)C(=O)O

InChI

InChI=1S/C21H13N3O5/c22-10-17-18(11-4-3-5-12(8-11)24(27)28)16-9-15(21(25)26)13-6-1-2-7-14(13)19(16)29-20(17)23/h1-9,18H,23H2,(H,25,26)