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

Systemtic Name: ethyl 2-azanyl-4-[5-bromanyl-2-[(3-nitrophenyl)methoxy]phenyl]-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-chromene-3-carboxylate Openeye Name: ethyl 2-amino-4-[5-bromo-2-[(3-nitrophenyl)methoxy]phenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carboxylate CAS Name: 2-amino-4-[5-bromo-2-[(3-nitrophenyl)methoxy]phenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-1-benzopyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-amino-4-[5-bromo-2-[(3-nitrophenyl)methoxy]phenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carboxylate Traditional Name: 2-amino-4-[5-bromo-2-(3-nitrobenzyl)oxy-phenyl]-5-keto-7,7-dimethyl-6,8-dihydro-4H-chromene-3-carboxylic acid ethyl ester Formula: C27H27BrN2O7 MolecularWeight: 571.41648

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C(C1C3=C(C=CC(=C3)Br)OCC4=CC(=CC=C4)[N+](=O)[O-])C(=O)CC(C2)(C)C)N

Isomeric SMILES

CCOC(=O)C1=C(OC2=C(C1C3=C(C=CC(=C3)Br)OCC4=CC(=CC=C4)[N+](=O)[O-])C(=O)CC(C2)(C)C)N

InChI

InChI=1S/C27H27BrN2O7/c1-4-35-26(32)24-22(23-19(31)12-27(2,3)13-21(23)37-25(24)29)18-11-16(28)8-9-20(18)36-14-15-6-5-7-17(10-15)30(33)34/h5-11,22H,4,12-14,29H2,1-3H3