methyl 4-(4-nitrophenyl)-2-pyrrolidin-1-yl-5,6-dihydro-4H-benzo[h]chromene-3-carboxylate

Systemtic Name: methyl 4-(4-nitrophenyl)-2-pyrrolidin-1-yl-5,6-dihydro-4H-benzo[h]chromene-3-carboxylate Openeye Name: methyl 4-(4-nitrophenyl)-2-pyrrolidin-1-yl-5,6-dihydro-4H-benzo[h]chromene-3-carboxylate CAS Name: 4-(4-nitrophenyl)-2-(1-pyrrolidinyl)-5,6-dihydro-4H-benzo[h][1]benzopyran-3-carboxylic acid methyl ester IUPAC Name: methyl 4-(4-nitrophenyl)-2-pyrrolidin-1-yl-5,6-dihydro-4H-benzo[h]chromene-3-carboxylate Traditional Name: 4-(4-nitrophenyl)-2-pyrrolidino-5,6-dihydro-4H-benzo[h]chromene-3-carboxylic acid methyl ester Formula: C25H24N2O5 MolecularWeight: 432.46846

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(OC2=C(C1C3=CC=C(C=C3)[N+](=O)[O-])CCC4=CC=CC=C42)N5CCCC5

Isomeric SMILES

COC(=O)C1=C(OC2=C(C1C3=CC=C(C=C3)[N+](=O)[O-])CCC4=CC=CC=C42)N5CCCC5

InChI

InChI=1S/C25H24N2O5/c1-31-25(28)22-21(17-8-11-18(12-9-17)27(29)30)20-13-10-16-6-2-3-7-19(16)23(20)32-24(22)26-14-4-5-15-26/h2-3,6-9,11-12,21H,4-5,10,13-15H2,1H3