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(4-propan-2-ylphenyl)methyl 4-(methylamino)-3-nitro-benzoate

(4-propan-2-ylphenyl)methyl 4-(methylamino)-3-nitro-benzoate

Systemtic Name:(4-propan-2-ylphenyl)methyl 4-(methylamino)-3-nitro-benzoate
Openeye Name:(4-isopropylphenyl)methyl 4-(methylamino)-3-nitro-benzoate
CAS Name:4-(methylamino)-3-nitrobenzoic acid (4-propan-2-ylphenyl)methyl ester
IUPAC Name:(4-propan-2-ylphenyl)methyl 4-(methylamino)-3-nitrobenzoate
Traditional Name:4-(methylamino)-3-nitro-benzoic acid (4-isopropylbenzyl) ester
Formula: C18H20N2O4
MolecularWeight: 328.3624
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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)COC(=O)C2=CC(=C(C=C2)NC)[N+](=O)[O-]


Isomeric SMILES

CC(C)C1=CC=C(C=C1)COC(=O)C2=CC(=C(C=C2)NC)[N+](=O)[O-]


InChI

InChI=1S/C18H20N2O4/c1-12(2)14-6-4-13(5-7-14)11-24-18(21)15-8-9-16(19-3)17(10-15)20(22)23/h4-10,12,19H,11H2,1-3H3


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