sodium 3-[(4E)-4-[(4-chlorophenyl)carbamoylhydrazinylidene]butyl]-6-propan-2-yl-azulene-1-carboxylate

Systemtic Name: sodium 3-[(4E)-4-[(4-chlorophenyl)carbamoylhydrazinylidene]butyl]-6-propan-2-yl-azulene-1-carboxylate Openeye Name: sodium 3-[(4E)-4-[(4-chlorophenyl)carbamoylhydrazono]butyl]-6-isopropyl-azulene-1-carboxylate CAS Name: sodium 3-[(4E)-4-[[(4-chloroanilino)-oxomethyl]hydrazinylidene]butyl]-6-propan-2-yl-1-azulenecarboxylate IUPAC Name: sodium 3-[(4E)-4-[(4-chlorophenyl)carbamoylhydrazinylidene]butyl]-6-propan-2-ylazulene-1-carboxylate Traditional Name: sodium 3-[(4E)-4-[(4-chlorophenyl)carbamoylhydrazono]butyl]-6-isopropyl-azulene-1-carboxylate Formula: C25H25ClN3NaO3 MolecularWeight: 473.92707

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C2C(=C(C=C2CCCC=NNC(=O)NC3=CC=C(C=C3)Cl)C(=O)[O-])C=C1.[Na+]

Isomeric SMILES

CC(C)C1=CC=C2C(=C(C=C2CCC/C=N/NC(=O)NC3=CC=C(C=C3)Cl)C(=O)[O-])C=C1.[Na+]

InChI

InChI=1S/C25H26ClN3O3.Na/c1-16(2)17-6-12-21-18(15-23(24(30)31)22(21)13-7-17)5-3-4-14-27-29-25(32)28-20-10-8-19(26)9-11-20;/h6-16H,3-5H2,1-2H3,(H,30,31)(H2,28,29,32);/q;+1/p-1/b27-14+;