6-methyl-2,4-dinitro-3-(pentan-3-ylamino)benzaldehyde

Systemtic Name: 6-methyl-2,4-dinitro-3-(pentan-3-ylamino)benzaldehyde Openeye Name: 3-(1-ethylpropylamino)-6-methyl-2,4-dinitro-benzaldehyde CAS Name: 6-methyl-2,4-dinitro-3-(pentan-3-ylamino)benzaldehyde IUPAC Name: 6-methyl-2,4-dinitro-3-(pentan-3-ylamino)benzaldehyde Traditional Name: 3-(1-ethylpropylamino)-6-methyl-2,4-dinitro-benzaldehyde Formula: C13H17N3O5 MolecularWeight: 295.29118

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC1=C(C=C(C(=C1[N+](=O)[O-])C=O)C)[N+](=O)[O-]

Isomeric SMILES

CCC(CC)NC1=C(C=C(C(=C1[N+](=O)[O-])C=O)C)[N+](=O)[O-]

InChI

InChI=1S/C13H17N3O5/c1-4-9(5-2)14-12-11(15(18)19)6-8(3)10(7-17)13(12)16(20)21/h6-7,9,14H,4-5H2,1-3H3