3-[[4-[bis(2-chloroethyl)amino]phenyl]methylideneamino]naphthalene-2-carboxylic acid

Systemtic Name: 3-[[4-[bis(2-chloroethyl)amino]phenyl]methylideneamino]naphthalene-2-carboxylic acid Openeye Name: 3-[[4-[bis(2-chloroethyl)amino]phenyl]methyleneamino]naphthalene-2-carboxylic acid CAS Name: 3-[[4-[bis(2-chloroethyl)amino]phenyl]methylideneamino]-2-naphthalenecarboxylic acid IUPAC Name: 3-[[4-[bis(2-chloroethyl)amino]phenyl]methylideneamino]naphthalene-2-carboxylic acid Traditional Name: 3-[[4-[bis(2-chloroethyl)amino]benzylidene]amino]-2-naphthoic acid Formula: C22H20Cl2N2O2 MolecularWeight: 415.3124

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C(=CC2=C1)C(=O)O)N=CC3=CC=C(C=C3)N(CCCl)CCCl

Isomeric SMILES

C1=CC=C2C=C(C(=CC2=C1)C(=O)O)N=CC3=CC=C(C=C3)N(CCCl)CCCl

InChI

InChI=1S/C22H20Cl2N2O2/c23-9-11-26(12-10-24)19-7-5-16(6-8-19)15-25-21-14-18-4-2-1-3-17(18)13-20(21)22(27)28/h1-8,13-15H,9-12H2,(H,27,28)