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2-oxidanylidenepropyl 4-(methylamino)-3-nitro-benzoate

2-oxidanylidenepropyl 4-(methylamino)-3-nitro-benzoate

Systemtic Name:2-oxidanylidenepropyl 4-(methylamino)-3-nitro-benzoate
Openeye Name:acetonyl 4-(methylamino)-3-nitro-benzoate
CAS Name:4-(methylamino)-3-nitrobenzoic acid 2-oxopropyl ester
IUPAC Name:2-oxopropyl 4-(methylamino)-3-nitrobenzoate
Traditional Name:4-(methylamino)-3-nitro-benzoic acid acetonyl ester
Formula: C11H12N2O5
MolecularWeight: 252.22338
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C11H12N2O5/c1-7(14)6-18-11(15)8-3-4-9(12-2)10(5-8)13(16)17/h3-5,12H,6H2,1-2H3


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