2-azanyl-5-[bis(2-chloroethyl)amino]-4-nitro-benzoic acid

Systemtic Name: 2-azanyl-5-[bis(2-chloroethyl)amino]-4-nitro-benzoic acid Openeye Name: 2-amino-5-[bis(2-chloroethyl)amino]-4-nitro-benzoic acid CAS Name: 2-amino-5-[bis(2-chloroethyl)amino]-4-nitrobenzoic acid IUPAC Name: 2-amino-5-[bis(2-chloroethyl)amino]-4-nitrobenzoic acid Traditional Name: 2-amino-5-[bis(2-chloroethyl)amino]-4-nitro-benzoic acid Formula: C11H13Cl2N3O4 MolecularWeight: 322.14462

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=CC(=C1N(CCCl)CCCl)[N+](=O)[O-])N)C(=O)O

Isomeric SMILES

C1=C(C(=CC(=C1N(CCCl)CCCl)[N+](=O)[O-])N)C(=O)O

InChI

InChI=1S/C11H13Cl2N3O4/c12-1-3-15(4-2-13)9-5-7(11(17)18)8(14)6-10(9)16(19)20/h5-6H,1-4,14H2,(H,17,18)