methyl 2-azanyl-5-[bis(2-chloroethyl)amino]-4-nitro-benzoate

Systemtic Name: methyl 2-azanyl-5-[bis(2-chloroethyl)amino]-4-nitro-benzoate Openeye Name: methyl 2-amino-5-[bis(2-chloroethyl)amino]-4-nitro-benzoate CAS Name: 2-amino-5-[bis(2-chloroethyl)amino]-4-nitrobenzoic acid methyl ester IUPAC Name: methyl 2-amino-5-[bis(2-chloroethyl)amino]-4-nitrobenzoate Traditional Name: 2-amino-5-[bis(2-chloroethyl)amino]-4-nitro-benzoic acid methyl ester Formula: C12H15Cl2N3O4 MolecularWeight: 336.1712

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15Cl2N3O4/c1-21-12(18)8-6-10(16(4-2-13)5-3-14)11(17(19)20)7-9(8)15/h6-7H,2-5,15H2,1H3