5-[[4-[4-(diethylamino)phenyl]imino-1-oxidanylidene-naphthalen-2-yl]carbonylamino]benzene-1,3-dicarboxylic acid

Systemtic Name: 5-[[4-[4-(diethylamino)phenyl]imino-1-oxidanylidene-naphthalen-2-yl]carbonylamino]benzene-1,3-dicarboxylic acid Openeye Name: 5-[[4-[4-(diethylamino)phenyl]imino-1-oxo-naphthalene-2-carbonyl]amino]benzene-1,3-dicarboxylic acid CAS Name: 5-[[[4-[4-(diethylamino)phenyl]imino-1-oxo-2-naphthalenyl]-oxomethyl]amino]benzene-1,3-dicarboxylic acid IUPAC Name: 5-[[4-[4-(diethylamino)phenyl]imino-1-oxonaphthalene-2-carbonyl]amino]benzene-1,3-dicarboxylic acid Traditional Name: 5-[[4-[4-(diethylamino)phenyl]imino-1-keto-2-naphthoyl]amino]isophthalic acid Formula: C29H25N3O6 MolecularWeight: 511.5253

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)N=C2C=C(C(=O)C3=CC=CC=C32)C(=O)NC4=CC(=CC(=C4)C(=O)O)C(=O)O

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)N=C2C=C(C(=O)C3=CC=CC=C32)C(=O)NC4=CC(=CC(=C4)C(=O)O)C(=O)O

InChI

InChI=1S/C29H25N3O6/c1-3-32(4-2)21-11-9-19(10-12-21)30-25-16-24(26(33)23-8-6-5-7-22(23)25)27(34)31-20-14-17(28(35)36)13-18(15-20)29(37)38/h5-16H,3-4H2,1-2H3,(H,31,34)(H,35,36)(H,37,38)