methyl 2-azanyl-4-[3-bromanyl-4-[(3-nitrophenyl)methoxy]phenyl]-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-chromene-3-carboxylate

Systemtic Name: methyl 2-azanyl-4-[3-bromanyl-4-[(3-nitrophenyl)methoxy]phenyl]-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-chromene-3-carboxylate Openeye Name: methyl 2-amino-4-[3-bromo-4-[(3-nitrophenyl)methoxy]phenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carboxylate CAS Name: 2-amino-4-[3-bromo-4-[(3-nitrophenyl)methoxy]phenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-1-benzopyran-3-carboxylic acid methyl ester IUPAC Name: methyl 2-amino-4-[3-bromo-4-[(3-nitrophenyl)methoxy]phenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carboxylate Traditional Name: 2-amino-4-[3-bromo-4-(3-nitrobenzyl)oxy-phenyl]-5-keto-7,7-dimethyl-6,8-dihydro-4H-chromene-3-carboxylic acid methyl ester Formula: C26H25BrN2O7 MolecularWeight: 557.3899

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(C(=C(O2)N)C(=O)OC)C3=CC(=C(C=C3)OCC4=CC(=CC=C4)[N+](=O)[O-])Br)C(=O)C1)C

Isomeric SMILES

CC1(CC2=C(C(C(=C(O2)N)C(=O)OC)C3=CC(=C(C=C3)OCC4=CC(=CC=C4)[N+](=O)[O-])Br)C(=O)C1)C

InChI

InChI=1S/C26H25BrN2O7/c1-26(2)11-18(30)22-20(12-26)36-24(28)23(25(31)34-3)21(22)15-7-8-19(17(27)10-15)35-13-14-5-4-6-16(9-14)29(32)33/h4-10,21H,11-13,28H2,1-3H3