[(E)-(9-methyl-2,3-dihydro-1H-carbazol-4-ylidene)amino] naphthalene-1-carboxylate dihydrate

Systemtic Name: [(E)-(9-methyl-2,3-dihydro-1H-carbazol-4-ylidene)amino] naphthalene-1-carboxylate dihydrate Openeye Name: [(E)-(9-methyl-2,3-dihydro-1H-carbazol-4-ylidene)amino] naphthalene-1-carboxylate dihydrate CAS Name: 1-naphthalenecarboxylic acid [(E)-(9-methyl-2,3-dihydro-1H-carbazol-4-ylidene)amino] ester dihydrate IUPAC Name: [(E)-(9-methyl-2,3-dihydro-1H-carbazol-4-ylidene)amino] naphthalene-1-carboxylate dihydrate Traditional Name: naphthalene-1-carboxylic acid [(E)-(9-methyl-2,3-dihydro-1H-carbazol-4-ylidene)amino] ester dihydrate Formula: C24H24N2O4 MolecularWeight: 404.45836

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=NOC(=O)C3=CC=CC4=CC=CC=C43)CCC2)C5=CC=CC=C51.O.O

Isomeric SMILES

CN1C2=C(/C(=N/OC(=O)C3=CC=CC4=CC=CC=C43)/CCC2)C5=CC=CC=C51.O.O

InChI

InChI=1S/C24H20N2O2.2H2O/c1-26-21-14-5-4-11-19(21)23-20(13-7-15-22(23)26)25-28-24(27)18-12-6-9-16-8-2-3-10-17(16)18;;/h2-6,8-12,14H,7,13,15H2,1H3;2*1H2/b25-20+;;