diethyl 6-azanyl-5-bromanyl-2-oxidanyl-azulene-1,3-dicarboxylate

Systemtic Name: diethyl 6-azanyl-5-bromanyl-2-oxidanyl-azulene-1,3-dicarboxylate Openeye Name: diethyl 6-amino-5-bromo-2-hydroxy-azulene-1,3-dicarboxylate CAS Name: 6-amino-5-bromo-2-hydroxyazulene-1,3-dicarboxylic acid diethyl ester IUPAC Name: diethyl 6-amino-5-bromo-2-hydroxyazulene-1,3-dicarboxylate Traditional Name: 6-amino-5-bromo-2-hydroxy-azulene-1,3-dicarboxylic acid diethyl ester Formula: C16H16BrNO5 MolecularWeight: 382.20594

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2C=CC(=C(C=C2C(=C1O)C(=O)OCC)Br)N

Isomeric SMILES

CCOC(=O)C1=C2C=CC(=C(C=C2C(=C1O)C(=O)OCC)Br)N

InChI

InChI=1S/C16H16BrNO5/c1-3-22-15(20)12-8-5-6-11(18)10(17)7-9(8)13(14(12)19)16(21)23-4-2/h5-7,19H,3-4,18H2,1-2H3