3-chloranyl-4-[(1-ethylpyrrolidin-2-yl)amino]-2-methyl-5-nitro-benzoic acid

Systemtic Name: 3-chloranyl-4-[(1-ethylpyrrolidin-2-yl)amino]-2-methyl-5-nitro-benzoic acid Openeye Name: 3-chloro-4-[(1-ethylpyrrolidin-2-yl)amino]-2-methyl-5-nitro-benzoic acid CAS Name: 3-chloro-4-[(1-ethyl-2-pyrrolidinyl)amino]-2-methyl-5-nitrobenzoic acid IUPAC Name: 3-chloro-4-[(1-ethylpyrrolidin-2-yl)amino]-2-methyl-5-nitrobenzoic acid Traditional Name: 3-chloro-4-[(1-ethylpyrrolidin-2-yl)amino]-2-methyl-5-nitro-benzoic acid Formula: C14H18ClN3O4 MolecularWeight: 327.76342

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCCC1NC2=C(C=C(C(=C2Cl)C)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CCN1CCCC1NC2=C(C=C(C(=C2Cl)C)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C14H18ClN3O4/c1-3-17-6-4-5-11(17)16-13-10(18(21)22)7-9(14(19)20)8(2)12(13)15/h7,11,16H,3-6H2,1-2H3,(H,19,20)